smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)([N-]c1ccc2c(c1)OC1(CCCC1)O2)c1cc(Cl)sc1Cl ZINC000032532542 527252530 /nfs/dbraw/zinc/25/25/30/527252530.db2.gz DPXZEGBOVBREJU-UHFFFAOYSA-N -1 0 406.312 4.897 50 0 HJAARM O=c1[n-]c(=S)n(-c2ccccc2Cl)c2c1CN(Cc1ccccc1Cl)CN2 ZINC000020567703 527436194 /nfs/dbraw/zinc/43/61/94/527436194.db2.gz UMGVOWHPUYBODB-UHFFFAOYSA-N -1 0 419.337 4.587 50 0 HJAARM CCOC(=O)c1c2ccc(Br)c([O-])c2sc1NC(=O)c1ccccc1 ZINC000000728254 557074219 /nfs/dbraw/zinc/07/42/19/557074219.db2.gz GWZQGMWQQZBPNF-UHFFFAOYSA-N -1 0 420.284 4.798 50 0 HJAARM COc1cccc([C@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3ccccc3S2)c1O ZINC000000754335 557076174 /nfs/dbraw/zinc/07/61/74/557076174.db2.gz BWCPGXSVXRCGOT-LJQANCHMSA-N -1 0 409.463 4.726 50 0 HJAARM Cc1nc([N-]c2nc3ccccc3o2)ncc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001078516 557175068 /nfs/dbraw/zinc/17/50/68/557175068.db2.gz WCJVEPKEELYOJM-UHFFFAOYSA-N -1 0 413.359 4.941 50 0 HJAARM O=P([N-]S(=O)(=O)c1ccc(Cl)cc1)(Oc1ccccc1)Oc1ccccc1 ZINC000002029640 557299789 /nfs/dbraw/zinc/29/97/89/557299789.db2.gz ICDPFMMCVFQIRB-UHFFFAOYSA-N -1 0 423.814 4.884 50 0 HJAARM C[C@](Cc1ccccc1)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002392283 557343665 /nfs/dbraw/zinc/34/36/65/557343665.db2.gz KLBKBAAOPOXFSK-RUZDIDTESA-N -1 0 401.462 4.611 50 0 HJAARM O=C([O-])[C@@H](Cc1cccc(Cl)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002567690 557357157 /nfs/dbraw/zinc/35/71/57/557357157.db2.gz UOZAKKJRIKXQPY-JOCHJYFZSA-N -1 0 421.880 4.874 50 0 HJAARM CCOc1ccc2nc(SCC(=O)Nc3ccc(Cl)c(C(=O)[O-])c3)sc2c1 ZINC000002754846 557379843 /nfs/dbraw/zinc/37/98/43/557379843.db2.gz SXKZAHRAGKXAAS-UHFFFAOYSA-N -1 0 422.915 4.777 50 0 HJAARM O=C([O-])COc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1Cl ZINC000002815272 557394935 /nfs/dbraw/zinc/39/49/35/557394935.db2.gz RGLFJXUXONTXAH-NVNXTCNLSA-N -1 0 424.261 4.698 50 0 HJAARM COc1ccc(Oc2ccc(C(F)(F)F)c(NC(=O)[C@@H]3CC[C@@H]3C(=O)[O-])c2)cc1 ZINC000004324274 557541373 /nfs/dbraw/zinc/54/13/73/557541373.db2.gz RIZPTYIKLAAVSJ-CABCVRRESA-N -1 0 409.360 4.556 50 0 HJAARM CCOc1ccc(NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)[O-])cc1 ZINC000004866486 557608178 /nfs/dbraw/zinc/60/81/78/557608178.db2.gz UTPMGSCJLVZZPD-SNDHGLFQSA-N -1 0 413.473 4.632 50 0 HJAARM COc1ccc(Oc2c(C)nc(SCC(=O)c3ccc(Cl)cc3)[n-]c2=O)cc1 ZINC000005176619 557638981 /nfs/dbraw/zinc/63/89/81/557638981.db2.gz XDNNRFWFVDOOBL-UHFFFAOYSA-N -1 0 416.886 4.508 50 0 HJAARM O=C([O-])[C@@H]1ON(c2ccccc2)[C@H](c2ccccc2)[C@@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000012376111 558391788 /nfs/dbraw/zinc/39/17/88/558391788.db2.gz FMFPITJUNAVUGJ-PWRODBHTSA-N -1 0 422.868 4.541 50 0 HJAARM COc1ccc(OC)c([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)c1 ZINC000015081456 558719150 /nfs/dbraw/zinc/71/91/50/558719150.db2.gz MYWKOYQMHDTZBB-OAHLLOKOSA-N -1 0 409.463 4.605 50 0 HJAARM O=C([O-])[C@@H](NC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1)c1ccccc1 ZINC000030819267 558738844 /nfs/dbraw/zinc/73/88/44/558738844.db2.gz HXPRCWLPDRFEDV-KRWDZBQOSA-N -1 0 421.305 4.602 50 0 HJAARM CCCCn1nc([N-]S(=O)(=O)c2ccc(F)cc2)c2cc3ccc(C)cc3nc21 ZINC000017027396 558812129 /nfs/dbraw/zinc/81/21/29/558812129.db2.gz DULVFULWYNJVFB-UHFFFAOYSA-N -1 0 412.490 4.633 50 0 HJAARM Cc1ccccc1NC(=O)c1c(NC(=O)C[C@H](C)CC(=O)[O-])sc2c1CCCC2 ZINC000017090008 558818538 /nfs/dbraw/zinc/81/85/38/558818538.db2.gz UPCVMALEVLGIFI-ZDUSSCGKSA-N -1 0 414.527 4.627 50 0 HJAARM CCCCc1ccc(S(=O)(=O)[N-]c2cnn(Cc3c(F)cccc3Cl)c2)cc1 ZINC000017092844 558821237 /nfs/dbraw/zinc/82/12/37/558821237.db2.gz HFBGGAMBGWTWHB-UHFFFAOYSA-N -1 0 421.925 4.867 50 0 HJAARM CCCCN(CC)c1cc(C(=O)[O-])c2cc(NC(=O)c3ccc(OC)cc3)ccc2n1 ZINC000033010235 558829649 /nfs/dbraw/zinc/82/96/49/558829649.db2.gz UQZPNSONDGLTDV-UHFFFAOYSA-N -1 0 421.497 4.820 50 0 HJAARM Cc1[n-]n(-c2cccc(C)c2)c(=O)c1C=C1C(=O)N(c2ccc(Cl)cc2)N=C1C ZINC000001191759 558837286 /nfs/dbraw/zinc/83/72/86/558837286.db2.gz ZNHVJDBHNDFIIT-UNOMPAQXSA-N -1 0 406.873 4.654 50 0 HJAARM CCCCN(CC)c1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1C(=O)[O-] ZINC000033253562 558921790 /nfs/dbraw/zinc/92/17/90/558921790.db2.gz VAEAYDMUEVLBMK-UHFFFAOYSA-N -1 0 418.559 4.935 50 0 HJAARM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)cc1 ZINC000058645365 558929188 /nfs/dbraw/zinc/92/91/88/558929188.db2.gz WRRYHMANPKAWCZ-UHFFFAOYSA-N -1 0 408.523 4.636 50 0 HJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004878 558969644 /nfs/dbraw/zinc/96/96/44/558969644.db2.gz JJXHQSDVXXQOQX-UHFFFAOYSA-N -1 0 404.513 4.870 50 0 HJAARM Cc1cc2oc3c(c2cc1[N-]S(=O)(=O)c1cccc2cccnc21)C(=O)CCC3 ZINC000004735774 559034921 /nfs/dbraw/zinc/03/49/21/559034921.db2.gz HGMDILCLYCYOBF-UHFFFAOYSA-N -1 0 406.463 4.609 50 0 HJAARM Cc1ccc(-c2nc(-c3ccc([N-]S(=O)(=O)c4cccs4)cc3)no2)cc1C ZINC000033276480 559036213 /nfs/dbraw/zinc/03/62/13/559036213.db2.gz UEYAMAPNVLUROJ-UHFFFAOYSA-N -1 0 411.508 4.883 50 0 HJAARM CCCCCCn1c2ccccc2c([O-])c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O ZINC000100658542 559137514 /nfs/dbraw/zinc/13/75/14/559137514.db2.gz RLJHZZHGILCQIO-UHFFFAOYSA-N -1 0 422.569 4.986 50 0 HJAARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@H]1Nc2ccccc2C(=O)N1C1CCCCC1 ZINC000102454286 559150452 /nfs/dbraw/zinc/15/04/52/559150452.db2.gz QAODEMDRTKMEBL-QFIPXVFZSA-N -1 0 402.498 4.786 50 0 HJAARM CC(C)(C)OC(=O)N1CC[C@H](c2cccc(Oc3ccc(F)cc3)c2)[C@@H]1C(=O)[O-] ZINC000221037623 559180972 /nfs/dbraw/zinc/18/09/72/559180972.db2.gz ZIVKGLPAHUUWRK-RTBURBONSA-N -1 0 401.434 4.796 50 0 HJAARM CCOc1ccc(N(CC)C(=O)Cc2c3cc(Cl)ccc3[nH]c2C(=O)[O-])cc1 ZINC000004920510 559207270 /nfs/dbraw/zinc/20/72/70/559207270.db2.gz MUWARYBSMKQOMM-UHFFFAOYSA-N -1 0 400.862 4.514 50 0 HJAARM CC(C)CN(CC(C)C)C(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)[O-] ZINC000004952108 559215882 /nfs/dbraw/zinc/21/58/82/559215882.db2.gz WEHGXEFRQQZVBQ-ZQHBMWIYSA-N -1 0 405.538 4.735 50 0 HJAARM COc1cccc(OC)c1C(=O)Nc1cc(C)c(O)c(-c2nc3ccccc3o2)c1 ZINC000004988516 559224128 /nfs/dbraw/zinc/22/41/28/559224128.db2.gz ZRHULTBLSGSPHP-UHFFFAOYSA-N -1 0 404.422 4.778 50 0 HJAARM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3cc(OC)ccc3OC)ccc21 ZINC000005126702 559248753 /nfs/dbraw/zinc/24/87/53/559248753.db2.gz BDVADHAVTYSASV-UHFFFAOYSA-N -1 0 410.495 4.632 50 0 HJAARM O=C([O-])CSc1nnc(-c2sc3ccccc3c2Cl)n1-c1ccccc1 ZINC000001470047 560180680 /nfs/dbraw/zinc/18/06/80/560180680.db2.gz GNEUDTMFXMASKC-UHFFFAOYSA-N -1 0 401.900 4.979 50 0 in-vitro HJAARM COc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1OCC(=O)[O-] ZINC000004891295 560615423 /nfs/dbraw/zinc/61/54/23/560615423.db2.gz XWMJNTQUCIYCPW-UHFFFAOYSA-N -1 0 400.434 4.883 50 0 HJAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2Cl)cc1 ZINC000015756953 560646341 /nfs/dbraw/zinc/64/63/41/560646341.db2.gz JQGZTBKLMWCTMC-UHFFFAOYSA-N -1 0 416.886 4.892 50 0 HJAARM CCCC[C@H](CC)[C@@H]1[C@H]2C(=O)N(c3ccc(C)cc3)C([O-])=C2ON1c1ccccc1 ZINC000102726151 560821882 /nfs/dbraw/zinc/82/18/82/560821882.db2.gz NJBXYNKCLWDUAR-JBJBFBLISA-N -1 0 406.526 4.890 50 0 HJAARM CC(C)OC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000005727283 560854482 /nfs/dbraw/zinc/85/44/82/560854482.db2.gz HYEXJGHCCCQSNE-CVEARBPZSA-N -1 0 413.495 4.586 50 0 HJAARM O=c1oc2ccccc2c(NC2CCCC2)c1NS(=O)(=O)c1ccccc1Cl ZINC000045962309 568422956 /nfs/dbraw/zinc/42/29/56/568422956.db2.gz SMJHZAOUGIMSTC-UHFFFAOYSA-N -1 0 418.902 4.602 50 0 HJAARM O=C([O-])CCc1cccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC000685945095 568722758 /nfs/dbraw/zinc/72/27/58/568722758.db2.gz UKMIRIYZVGARDE-UHFFFAOYSA-N -1 0 401.462 4.743 50 0 HJAARM Cc1cc(-c2cc(S(=O)(=O)[N-]c3cccc(Br)c3)c(C)s2)on1 ZINC000096323501 568732226 /nfs/dbraw/zinc/73/22/26/568732226.db2.gz IOWIRNVZRXOKFR-UHFFFAOYSA-N -1 0 413.318 4.583 50 0 HJAARM Cc1nn([C@H](C)c2nnc([N-]c3ccn(Cc4ccccc4)n3)s2)c(C)c1Cl ZINC000002731550 568804957 /nfs/dbraw/zinc/80/49/57/568804957.db2.gz CVRQBCNTYKEJGQ-CQSZACIVSA-N -1 0 413.938 4.603 50 0 HJAARM CCCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000005952041 568831975 /nfs/dbraw/zinc/83/19/75/568831975.db2.gz GFBUZDLCXPCTRE-JKSUJKDBSA-N -1 0 413.495 4.587 50 0 HJAARM CCOC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)CCCC(=O)[O-] ZINC000005953081 568832233 /nfs/dbraw/zinc/83/22/33/568832233.db2.gz QBFKYKUVFUZPJF-UHFFFAOYSA-N -1 0 411.479 4.938 50 0 HJAARM O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)NC1CCCCCCC1 ZINC000012516372 568840672 /nfs/dbraw/zinc/84/06/72/568840672.db2.gz KYTXMQFCHCXVBF-UHFFFAOYSA-N -1 0 401.576 4.849 50 0 HJAARM O=C(NCc1ccccc1)c1ccc2c(c1)[n-]c(=S)n(CCC1=CCCCC1)c2=O ZINC000003043833 568848362 /nfs/dbraw/zinc/84/83/62/568848362.db2.gz ZJDKXHRPTWNLQR-UHFFFAOYSA-N -1 0 419.550 4.506 50 0 HJAARM O=S(=O)([N-]c1nc2ccccc2nc1NCCC1=CCCCC1)c1ccccc1 ZINC000003271798 568850399 /nfs/dbraw/zinc/85/03/99/568850399.db2.gz KHSHWMOUVNMUGS-UHFFFAOYSA-N -1 0 408.527 4.733 50 0 HJAARM COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(C)cc1 ZINC000003864234 568868994 /nfs/dbraw/zinc/86/89/94/568868994.db2.gz CYGFQQAUVZUPNV-CVEARBPZSA-N -1 0 415.511 4.648 50 0 HJAARM COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])sc(C)c1-c1ccc(C)cc1 ZINC000003864232 568869025 /nfs/dbraw/zinc/86/90/25/568869025.db2.gz CYGFQQAUVZUPNV-HZPDHXFCSA-N -1 0 415.511 4.648 50 0 HJAARM O=S(=O)([N-]c1nc2ccccc2nc1NC1CCCC1)c1ccc2ccccc2c1 ZINC000003289797 568872897 /nfs/dbraw/zinc/87/28/97/568872897.db2.gz ODAFZZMIEQFXJY-UHFFFAOYSA-N -1 0 418.522 4.938 50 0 HJAARM O=C([O-])CCC(=O)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 ZINC000004141009 568946389 /nfs/dbraw/zinc/94/63/89/568946389.db2.gz UIZUUVXQIBFHTF-FSHDWPLLSA-N -1 0 424.447 4.953 50 0 HJAARM Cc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CCCC4)n3)cs2)c(C)c1 ZINC000035557473 569044732 /nfs/dbraw/zinc/04/47/32/569044732.db2.gz FMXMYYPBEOAXNX-UHFFFAOYSA-N -1 0 403.529 4.873 50 0 HJAARM O=S(=O)([N-]c1ccc(F)cc1F)c1cc(-c2noc(C3CCCC3)n2)cs1 ZINC000035557386 569044750 /nfs/dbraw/zinc/04/47/50/569044750.db2.gz RNJFYRSMPIUXRO-UHFFFAOYSA-N -1 0 411.455 4.535 50 0 HJAARM COc1ccc(OC)c([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(C)cc2)c1 ZINC000064796243 569096458 /nfs/dbraw/zinc/09/64/58/569096458.db2.gz ITQQDPUVJMTYOZ-MRXNPFEDSA-N -1 0 423.490 4.913 50 0 HJAARM COc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C ZINC000064837351 569105137 /nfs/dbraw/zinc/10/51/37/569105137.db2.gz GEPPYHVXNKHXRD-UHFFFAOYSA-N -1 0 406.891 4.730 50 0 HJAARM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1ccc(C(C)=O)cc1 ZINC000065060228 569164015 /nfs/dbraw/zinc/16/40/15/569164015.db2.gz SKYRGVCIZYAIDI-UHFFFAOYSA-N -1 0 416.524 4.521 50 0 HJAARM Cc1cccc([N-]S(=O)(=O)c2cc(-c3nc(-c4cccc(F)c4)no3)cs2)c1 ZINC000065098133 569177013 /nfs/dbraw/zinc/17/70/13/569177013.db2.gz UENWTCPNPHGXNV-UHFFFAOYSA-N -1 0 415.471 4.713 50 0 HJAARM COC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1ccc(C)c(C)c1 ZINC000006913967 569179804 /nfs/dbraw/zinc/17/98/04/569179804.db2.gz LMKOXBDKIBJJRU-UHFFFAOYSA-N -1 0 401.509 4.619 50 0 HJAARM Cc1cc([O-])c(C2=Nc3ccccc3N[C@H](c3c[nH]nc3-c3ccccc3)C2)c(=O)o1 ZINC000036621419 569212032 /nfs/dbraw/zinc/21/20/32/569212032.db2.gz IHKOTDKKFPYQJB-IBGZPJMESA-N -1 0 412.449 4.722 50 0 HJAARM Cc1nn(-c2ccccc2)c2[n-]cc(C(=O)Nc3cc(Cl)ccc3Cl)c(=O)c12 ZINC000007424052 569237942 /nfs/dbraw/zinc/23/79/42/569237942.db2.gz BWCYVZUBWCRYBK-UHFFFAOYSA-N -1 0 413.264 4.581 50 0 HJAARM CCOC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(C)c(Cl)c1 ZINC000007615937 569295792 /nfs/dbraw/zinc/29/57/92/569295792.db2.gz RLUDYQMDTOUFFM-UHFFFAOYSA-N -1 0 409.916 4.841 50 0 HJAARM O=S(=O)([N-]c1cccc(-c2nnc(-c3ccccc3)o2)c1)c1ccccc1Cl ZINC000013358307 569411680 /nfs/dbraw/zinc/41/16/80/569411680.db2.gz HOAPNGRCHZYKAG-UHFFFAOYSA-N -1 0 411.870 4.858 50 0 HJAARM CCc1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000008836440 571123493 /nfs/dbraw/zinc/12/34/93/571123493.db2.gz GTICSUWJLKVVQR-UHFFFAOYSA-N -1 0 422.485 4.876 50 0 HJAARM O=C(c1ccc([N-]S(=O)(=O)c2cccs2)cc1)N1CCC[C@@H]1c1ccsc1 ZINC000040110431 571168792 /nfs/dbraw/zinc/16/87/92/571168792.db2.gz UBCGQDDADBYCDR-QGZVFWFLSA-N -1 0 418.565 4.588 50 0 HJAARM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)s2)c(C)c1 ZINC000009228241 571239417 /nfs/dbraw/zinc/23/94/17/571239417.db2.gz UMIATEXODUADQY-UHFFFAOYSA-N -1 0 405.545 4.667 50 0 HJAARM CCCCn1nc([N-]S(=O)(=O)c2ccc(F)cc2)c2cc3cccc(C)c3nc21 ZINC000009318732 571247846 /nfs/dbraw/zinc/24/78/46/571247846.db2.gz XBDFBESMXOEYBZ-UHFFFAOYSA-N -1 0 412.490 4.633 50 0 HJAARM CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000009320509 571248052 /nfs/dbraw/zinc/24/80/52/571248052.db2.gz SJTOJUXPNABTRB-UHFFFAOYSA-N -1 0 405.472 4.532 50 0 HJAARM COc1ccc(Br)cc1-c1cc(C(=O)[O-])c2c(n[nH]c2-c2ccccc2)n1 ZINC000009406680 571255480 /nfs/dbraw/zinc/25/54/80/571255480.db2.gz OGANWEKZRYALBL-UHFFFAOYSA-N -1 0 424.254 4.761 50 0 HJAARM COc1ccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccccc3)n2)cc1Br ZINC000009406675 571255482 /nfs/dbraw/zinc/25/54/82/571255482.db2.gz OPNURCLIRQNSSY-UHFFFAOYSA-N -1 0 424.254 4.761 50 0 HJAARM O=C(Nc1c(F)c(F)c(F)c(F)c1F)c1cccc2c1C(=O)N(C1CCCCC1)C2 ZINC000009835612 571287737 /nfs/dbraw/zinc/28/77/37/571287737.db2.gz AQRURWXUTNVREK-UHFFFAOYSA-N -1 0 424.369 4.923 50 0 HJAARM Cc1cc(C)cc(C[C@@H](C(=O)[O-])[C@@H](C)C(=O)Nc2ccc(C)c(Br)c2)c1 ZINC000071405985 571293939 /nfs/dbraw/zinc/29/39/39/571293939.db2.gz CEMHFLMOVGIPSW-CRAIPNDOSA-N -1 0 418.331 4.892 50 0 HJAARM O=C([O-])[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1ccc(Cl)cc1 ZINC000035141935 571313713 /nfs/dbraw/zinc/31/37/13/571313713.db2.gz DPTCLRJHFXYMSW-LBPRGKRZSA-N -1 0 401.768 4.511 50 0 HJAARM Cc1cccc2c1NC(=O)[C@@]21CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccccc1 ZINC000032072703 524952543 /nfs/dbraw/zinc/95/25/43/524952543.db2.gz ZSMGCNAQGVYISU-QFIPXVFZSA-N -1 0 404.447 4.652 50 0 HJAARM Cc1ccc(C)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC000001156298 557214110 /nfs/dbraw/zinc/21/41/10/557214110.db2.gz LREMWNGWFPPYSE-UHFFFAOYSA-N -1 0 404.495 4.791 50 0 HJAARM CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000004614482 557572547 /nfs/dbraw/zinc/57/25/47/557572547.db2.gz WCKFQTUDRVHYPL-CVEARBPZSA-N -1 0 413.495 4.506 50 0 HJAARM Cc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1NC(=O)c1ccc(Cl)cc1 ZINC000004821100 557602885 /nfs/dbraw/zinc/60/28/85/557602885.db2.gz ZOISKPLTSQOPMV-ZWKOTPCHSA-N -1 0 414.889 4.730 50 0 HJAARM Cc1c(Nc2cnn(C34CC5CC(CC(C5)C3)C4)c(=O)c2Cl)cccc1C(=O)[O-] ZINC000004909630 557612159 /nfs/dbraw/zinc/61/21/59/557612159.db2.gz YUDRWXPYZZJUFB-UHFFFAOYSA-N -1 0 413.905 4.572 50 0 HJAARM CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000005909675 557680691 /nfs/dbraw/zinc/68/06/91/557680691.db2.gz GBROUWPNYVBLFO-HSZRJFAPSA-N -1 0 401.462 4.563 50 0 HJAARM Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000002792072 557764284 /nfs/dbraw/zinc/76/42/84/557764284.db2.gz OUMRGDARVBOWOZ-UHFFFAOYSA-N -1 0 421.925 4.758 50 0 HJAARM CCN1C(=O)S/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)c(Cl)c2)C1=O ZINC000008396336 557785811 /nfs/dbraw/zinc/78/58/11/557785811.db2.gz AUMVQWOFHPSZQJ-LICLKQGHSA-N -1 0 417.870 4.673 50 0 HJAARM O=C([O-])c1cccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)c1 ZINC000008451747 557790947 /nfs/dbraw/zinc/79/09/47/557790947.db2.gz AXYQYYLBCILMJP-UNOMPAQXSA-N -1 0 422.437 4.551 50 0 HJAARM [O-]c1c([C@H](c2ccc(Cl)cc2)N2CCCCC2)sc2nc(-c3ccco3)nn12 ZINC000022851930 557839525 /nfs/dbraw/zinc/83/95/25/557839525.db2.gz UHFWRUNIMGNOIM-INIZCTEOSA-N -1 0 414.918 4.985 50 0 HJAARM CCc1nc2sc([C@@H](c3ccc(Cl)cc3Cl)N3CCCCC3)c([O-])n2n1 ZINC000022853131 557840000 /nfs/dbraw/zinc/84/00/00/557840000.db2.gz MNPNSXBOFSEHNU-OAHLLOKOSA-N -1 0 411.358 4.941 50 0 HJAARM Nc1c(-c2n[n-]c(=S)n2-c2ccc(Cl)cc2Cl)cnn1-c1ccccc1 ZINC000013658622 558559234 /nfs/dbraw/zinc/55/92/34/558559234.db2.gz FABDHZNNMSHHSK-UHFFFAOYSA-N -1 0 403.298 4.672 50 0 HJAARM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000024224858 558592878 /nfs/dbraw/zinc/59/28/78/558592878.db2.gz CRQCGPNTHOLILZ-UHFFFAOYSA-N -1 0 411.104 4.565 50 0 HJAARM COc1ccc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc1COc1ccc(-c2ccccc2)cc1 ZINC000013961502 558609365 /nfs/dbraw/zinc/60/93/65/558609365.db2.gz KZNCPDBPSXLOOG-FYYLOGMGSA-N -1 0 421.518 4.729 50 0 HJAARM Cc1nc([N-]S(=O)(=O)c2ccccc2)sc1NC(=O)Nc1ccccc1Cl ZINC000001137472 558775333 /nfs/dbraw/zinc/77/53/33/558775333.db2.gz KZXWGCZSCVXBEG-UHFFFAOYSA-N -1 0 422.919 4.550 50 0 HJAARM CC(C)(C)OC(=O)N1CC[C@H](c2cccc(Oc3ccc(F)cc3)c2)[C@H]1C(=O)[O-] ZINC000221037687 558793365 /nfs/dbraw/zinc/79/33/65/558793365.db2.gz ZIVKGLPAHUUWRK-MOPGFXCFSA-N -1 0 401.434 4.796 50 0 HJAARM CC[C@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)Nc2cccc(C)c2)C1 ZINC000017090014 558818550 /nfs/dbraw/zinc/81/85/50/558818550.db2.gz CVWAYFIIMPPVSB-AWEZNQCLSA-N -1 0 414.527 4.627 50 0 HJAARM CC1=C(C)C[C@H](C(=O)Nc2sccc2C(=O)Nc2ccccc2F)[C@@H](C(=O)[O-])C1 ZINC000017090606 558819147 /nfs/dbraw/zinc/81/91/47/558819147.db2.gz XNYRIWJDRNQUAC-GJZGRUSLSA-N -1 0 416.474 4.525 50 0 HJAARM CC[C@@H]1CCc2c(sc(NC(=O)CCCC(=O)[O-])c2C(=O)NC2CCCCC2)C1 ZINC000017092405 558820852 /nfs/dbraw/zinc/82/08/52/558820852.db2.gz PRASCWGCCXXTBT-CQSZACIVSA-N -1 0 420.575 4.519 50 0 HJAARM CCCCC(=O)Nc1ccc(N2CCN(c3cccc(C)c3)[C@@H](C)C2)c(C(=O)[O-])c1 ZINC000033078605 558868163 /nfs/dbraw/zinc/86/81/63/558868163.db2.gz KRYXBIWUUYLTOR-SFHVURJKSA-N -1 0 409.530 4.537 50 0 HJAARM Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000033173852 558902070 /nfs/dbraw/zinc/90/20/70/558902070.db2.gz LNHKRARKVRELRO-UHFFFAOYSA-N -1 0 415.462 4.883 50 0 HJAARM CCCN(CCC)c1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1C(=O)[O-] ZINC000033253496 558921799 /nfs/dbraw/zinc/92/17/99/558921799.db2.gz ZCLSHBFYOKNCIG-UHFFFAOYSA-N -1 0 418.559 4.935 50 0 HJAARM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)o2)cc1 ZINC000033263920 558969194 /nfs/dbraw/zinc/96/91/94/558969194.db2.gz IZCYPPPZWGXWLM-UHFFFAOYSA-N -1 0 400.378 4.878 50 0 HJAARM Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)n[nH]1 ZINC000033306705 559051788 /nfs/dbraw/zinc/05/17/88/559051788.db2.gz QGBMWABQRVXLNB-UHFFFAOYSA-N -1 0 415.462 4.883 50 0 HJAARM CCOc1ccc([N-]S(=O)(=O)c2ccccc2-c2nc(-c3ccccc3)no2)cc1 ZINC000033306978 559051884 /nfs/dbraw/zinc/05/18/84/559051884.db2.gz LPQPDNLGUIYPKG-UHFFFAOYSA-N -1 0 421.478 4.603 50 0 HJAARM CCCCn1c(=O)c(C(=O)Nc2nc(-c3ccccc3)cs2)c([O-])c2ccccc21 ZINC000100537060 559136263 /nfs/dbraw/zinc/13/62/63/559136263.db2.gz QMTBFDWDVGIVCQ-UHFFFAOYSA-N -1 0 419.506 4.883 50 0 HJAARM Cc1ccc2nc(NC(=O)c3c([O-])c4ccccc4n(CCC(C)C)c3=O)sc2c1 ZINC000100658439 559137511 /nfs/dbraw/zinc/13/75/11/559137511.db2.gz GXHGLFTVDAKKCI-UHFFFAOYSA-N -1 0 421.522 4.924 50 0 HJAARM O=C([O-])c1ccc(N2C(=O)c3n[nH]c(-c4ccccc4)c3[C@H]2c2cccc(F)c2)cc1 ZINC000004928682 559208425 /nfs/dbraw/zinc/20/84/25/559208425.db2.gz UEUISRCESMBVCV-JOCHJYFZSA-N -1 0 413.408 4.664 50 0 HJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NC2CCCCC2)c(C)c1 ZINC000005017225 559228583 /nfs/dbraw/zinc/22/85/83/559228583.db2.gz IXTQEXATBSMDTO-UHFFFAOYSA-N -1 0 410.543 4.792 50 0 HJAARM Cc1cc(C)cc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccs2)c1 ZINC000005017277 559228609 /nfs/dbraw/zinc/22/86/09/559228609.db2.gz ZAKSNAKKFGWVOU-UHFFFAOYSA-N -1 0 410.524 4.853 50 0 HJAARM CCCc1cc2c(cc1OC(=O)OC)oc(=O)c(-c1nc3ccccc3s1)c2[O-] ZINC000011865195 559263426 /nfs/dbraw/zinc/26/34/26/559263426.db2.gz UZHASERDDYVOHW-UHFFFAOYSA-N -1 0 411.435 4.873 50 0 HJAARM CCOc1ccc(C(=O)C[C@@H](Sc2ccc(Br)cc2)C(=O)[O-])cc1 ZINC000005408550 560583668 /nfs/dbraw/zinc/58/36/68/560583668.db2.gz SZFNUOZHMOASOL-QGZVFWFLSA-N -1 0 409.301 4.666 50 0 HJAARM C[C@H](Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000005557635 560614195 /nfs/dbraw/zinc/61/41/95/560614195.db2.gz MGDNWBHLYUSOKL-AWEZNQCLSA-N -1 0 410.524 4.665 50 0 HJAARM COC(=O)c1ccccc1Oc1nc(-c2cccc(OC)c2[O-])nc2ccccc21 ZINC000005561081 560617899 /nfs/dbraw/zinc/61/78/99/560617899.db2.gz YOQDTCDYONKIMO-UHFFFAOYSA-N -1 0 402.406 4.590 50 0 HJAARM Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(F)cc2)c1 ZINC000017248117 560705010 /nfs/dbraw/zinc/70/50/10/560705010.db2.gz MQNIMJCQPGULMQ-UHFFFAOYSA-N -1 0 408.458 4.622 50 0 HJAARM O=C([O-])c1cc(Br)ccc1NC(=O)CSc1ccc(Cl)cc1 ZINC000002998531 560732559 /nfs/dbraw/zinc/73/25/59/560732559.db2.gz OQDUPKXCDMZGTD-UHFFFAOYSA-N -1 0 400.681 4.532 50 0 HJAARM C[C@]12C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]1ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000102697245 560820098 /nfs/dbraw/zinc/82/00/98/560820098.db2.gz JRYISFBJRDAFHH-AWRGLXIESA-N -1 0 418.880 4.781 50 0 HJAARM C[C@@H]1CCCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2F)C1 ZINC000102894307 560833100 /nfs/dbraw/zinc/83/31/00/560833100.db2.gz XNDPENLGZFYLEA-CXAGYDPISA-N -1 0 412.490 4.717 50 0 HJAARM O=C([O-])[C@@H](Sc1cc(C(F)(F)F)c2cc3c(cc2n1)OCO3)c1ccccc1 ZINC000012139485 560890031 /nfs/dbraw/zinc/89/00/31/560890031.db2.gz NAKGSUWEQCHTHL-KRWDZBQOSA-N -1 0 407.369 4.900 50 0 HJAARM COc1cccc([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCC(C)CC2)c1 ZINC000022852438 568415629 /nfs/dbraw/zinc/41/56/29/568415629.db2.gz BOIDSQFTZDIFON-SFHVURJKSA-N -1 0 424.526 4.586 50 0 HJAARM Nc1c(Oc2ccc(Cl)cc2Cl)cc(Cl)c(Cl)c1S(=O)(=O)[O-] ZINC000019865736 568435976 /nfs/dbraw/zinc/43/59/76/568435976.db2.gz WYGGSHOKMSCTIM-UHFFFAOYSA-N -1 0 403.070 4.921 50 0 HJAARM O=C([O-])[C@@H](NC(=O)C[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1)c1ccccc1 ZINC000218329293 568478507 /nfs/dbraw/zinc/47/85/07/568478507.db2.gz URCAJYGASOUSQE-UNMCSNQZSA-N -1 0 411.860 4.943 50 0 HJAARM COc1cccc2cc(C(=O)Nc3ccccc3)/c(=N/c3ccc(C(=O)[O-])cc3)oc21 ZINC000020616638 568638337 /nfs/dbraw/zinc/63/83/37/568638337.db2.gz DHXVSJNIMFHXRH-RWEWTDSWSA-N -1 0 414.417 4.624 50 0 HJAARM COc1ccc2cc(C(=O)Nc3ccccc3)/c(=N/c3ccc(C(=O)[O-])cc3)oc2c1 ZINC000020616640 568638422 /nfs/dbraw/zinc/63/84/22/568638422.db2.gz CNHCOGOYIFFSHL-RWEWTDSWSA-N -1 0 414.417 4.624 50 0 HJAARM O=c1nc(CSc2ncnc3scc(-c4ccccc4)c32)[n-]c2ccsc21 ZINC000020920214 568650787 /nfs/dbraw/zinc/65/07/87/568650787.db2.gz ZTJHHWXGCODKFV-UHFFFAOYSA-N -1 0 408.533 4.949 50 0 HJAARM CCOC(=O)c1cnc2c(cccc2C(F)(F)F)c1Nc1ccc(C(=O)[O-])cc1 ZINC000000955740 568757439 /nfs/dbraw/zinc/75/74/39/568757439.db2.gz FZSIVYBMMOPKRV-UHFFFAOYSA-N -1 0 404.344 4.872 50 0 HJAARM O=C([O-])CC1=C(Nc2ccccc2)C(=O)N(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000001070999 568765701 /nfs/dbraw/zinc/76/57/01/568765701.db2.gz VIDJILWPKQHREE-QHCPKHFHSA-N -1 0 402.425 4.755 50 0 HJAARM O=C(CCCCCn1c(=O)c2sccc2[n-]c1=S)NCCC1=CCCCC1 ZINC000002925555 568817379 /nfs/dbraw/zinc/81/73/79/568817379.db2.gz DTXCAZXEOHIFMB-UHFFFAOYSA-N -1 0 405.589 4.688 50 0 HJAARM C[C@@H]1CCCC[C@H]1NC(=O)C1CCC(Cn2c(=O)c3sccc3[n-]c2=S)CC1 ZINC000002925601 568817449 /nfs/dbraw/zinc/81/74/49/568817449.db2.gz XCXKJLOEFBJUCG-PRLABOORSA-N -1 0 419.616 4.622 50 0 HJAARM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)Nc1ccc(Oc2ccccc2)cc1 ZINC000002971885 568831914 /nfs/dbraw/zinc/83/19/14/568831914.db2.gz BRXGCLUJBPOLPX-UHFFFAOYSA-N -1 0 417.490 4.880 50 0 HJAARM O=C(Nc1ccccc1)Nc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000012521097 568841476 /nfs/dbraw/zinc/84/14/76/568841476.db2.gz IXALHVLHGNABSL-UHFFFAOYSA-N -1 0 401.875 4.785 50 0 HJAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2ccc(C(C)C)cc2)c1 ZINC000012552103 568853996 /nfs/dbraw/zinc/85/39/96/568853996.db2.gz UKNVWBBXSPBCTL-UHFFFAOYSA-N -1 0 424.522 4.872 50 0 HJAARM CCCCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000003268653 568870167 /nfs/dbraw/zinc/87/01/67/568870167.db2.gz RXGCQKKWMXPBLH-UHFFFAOYSA-N -1 0 404.923 4.686 50 0 HJAARM Cc1cc(=O)c(C(=O)[O-])c2n1-c1ccc(Cl)cc1S[C@@H](c1cccs1)C2 ZINC000299785763 568875413 /nfs/dbraw/zinc/87/54/13/568875413.db2.gz NTHLFROEMJJNKS-QGZVFWFLSA-N -1 0 403.912 4.949 50 0 HJAARM COc1cc([C@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3ccccc3S2)ccc1O ZINC000005441735 568906915 /nfs/dbraw/zinc/90/69/15/568906915.db2.gz LEFSSOXXUTTWQA-HXUWFJFHSA-N -1 0 409.463 4.726 50 0 biogenic HJAARM CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4cccnc4s3)cc2)s1 ZINC000004036333 568935544 /nfs/dbraw/zinc/93/55/44/568935544.db2.gz VQZRFCWLDLNJNL-UHFFFAOYSA-N -1 0 401.538 4.783 50 0 HJAARM C[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccccc2)c3=O)[C@@H]1C ZINC000004192254 568950432 /nfs/dbraw/zinc/95/04/32/568950432.db2.gz DLVNGUYTERDIKD-QINHECLXSA-N -1 0 421.566 4.662 50 0 HJAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CCCCCC2)c1 ZINC000008133132 568976198 /nfs/dbraw/zinc/97/61/98/568976198.db2.gz VCORVLJFQDCECM-UHFFFAOYSA-N -1 0 424.950 4.538 50 0 HJAARM COc1ccc(NC(=O)CCC2CCCC2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006178394 569017533 /nfs/dbraw/zinc/01/75/33/569017533.db2.gz QRPNKGDIRWKVKW-UHFFFAOYSA-N -1 0 420.506 4.544 50 0 HJAARM Cc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)cc1Cl ZINC000035557192 569044746 /nfs/dbraw/zinc/04/47/46/569044746.db2.gz FYHAUSQFVHCTBQ-UHFFFAOYSA-N -1 0 409.920 4.828 50 0 HJAARM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@H](C)c2ccccc2)c(C)c1 ZINC000006362190 569045910 /nfs/dbraw/zinc/04/59/10/569045910.db2.gz CHJAZMGYCSDCRL-LJQANCHMSA-N -1 0 422.550 4.904 50 0 HJAARM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(F)cc3)cc2)cc1 ZINC000006362224 569045957 /nfs/dbraw/zinc/04/59/57/569045957.db2.gz OYZFMLBJSDHHOZ-GIDUJCDVSA-N -1 0 410.470 4.587 50 0 HJAARM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1cc(C)ccc1OC ZINC000065060306 569164112 /nfs/dbraw/zinc/16/41/12/569164112.db2.gz SQCLCIVSKLHNFN-UHFFFAOYSA-N -1 0 418.540 4.635 50 0 HJAARM Cc1nn(C[C@H](C)c2n[n-]c(=S)n2-c2cccc(C)c2C)c(C)c1Br ZINC000006912979 569179467 /nfs/dbraw/zinc/17/94/67/569179467.db2.gz DRWAPUZTNWNCJD-NSHDSACASA-N -1 0 420.380 4.926 50 0 HJAARM Cc1cc(Cl)ccc1NC(=O)c1c([O-])c2c3c(sc2[nH]c1=O)C[C@H](C)CC3 ZINC000065150514 569184846 /nfs/dbraw/zinc/18/48/46/569184846.db2.gz IEMCKFWYVIUFJS-SECBINFHSA-N -1 0 402.903 4.634 50 0 HJAARM C[C@H]1CCc2c(sc3[nH]c(=O)c(C(=O)Nc4cc(Cl)cc(Cl)c4)c([O-])c23)C1 ZINC000065150417 569184876 /nfs/dbraw/zinc/18/48/76/569184876.db2.gz VGHBSYIJQNSGPZ-QMMMGPOBSA-N -1 0 423.321 4.979 50 0 HJAARM COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000007005284 569198521 /nfs/dbraw/zinc/19/85/21/569198521.db2.gz BAXATOOKUZRJBT-UHFFFAOYSA-N -1 0 410.854 4.560 50 0 HJAARM Cc1c2ccc(OCc3c(F)cccc3Cl)c(C)c2oc(=O)c1CCC(=O)[O-] ZINC000002149294 569289836 /nfs/dbraw/zinc/28/98/36/569289836.db2.gz ALWOOPMRVNBSDQ-UHFFFAOYSA-N -1 0 404.821 4.799 50 0 biogenic HJAARM CCOc1ccc(CO[N-]C(=O)COc2ccc(Cl)cc2Cl)cc1Cl ZINC000002294490 569369347 /nfs/dbraw/zinc/36/93/47/569369347.db2.gz XAKGVCIWMNXAPA-UHFFFAOYSA-N -1 0 404.677 4.672 50 0 HJAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccccc1)c1cccc(Cl)c1 ZINC000002414397 569397160 /nfs/dbraw/zinc/39/71/60/569397160.db2.gz RQDJTIJCVCFZTK-UHFFFAOYSA-N -1 0 410.886 4.828 50 0 HJAARM CC(C)CCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000002435318 569399627 /nfs/dbraw/zinc/39/96/27/569399627.db2.gz DMJZLCKNFASYMG-UHFFFAOYSA-N -1 0 404.923 4.542 50 0 HJAARM C[C@@H](Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1)c1cccs1 ZINC000013095395 569408833 /nfs/dbraw/zinc/40/88/33/569408833.db2.gz GBWHEKCUBAJTAM-CQSZACIVSA-N -1 0 410.524 4.665 50 0 HJAARM COc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C ZINC000013358212 569411515 /nfs/dbraw/zinc/41/15/15/569411515.db2.gz LHHARXZOHLECFW-UHFFFAOYSA-N -1 0 408.932 4.890 50 0 HJAARM CCOc1ccc(-c2[nH]nc3nc(-c4ccccc4OCC)cc(C(=O)[O-])c32)cc1 ZINC000013363522 569411989 /nfs/dbraw/zinc/41/19/89/569411989.db2.gz WNNVFUIBTUQSMW-UHFFFAOYSA-N -1 0 403.438 4.788 50 0 HJAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(Br)c(C)c3)s2)on1 ZINC000008600247 571089893 /nfs/dbraw/zinc/08/98/93/571089893.db2.gz YTMIJQLMAWGLDK-UHFFFAOYSA-N -1 0 413.318 4.583 50 0 HJAARM COC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1ccc(C)c(Cl)c1 ZINC000008604964 571091621 /nfs/dbraw/zinc/09/16/21/571091621.db2.gz ZRKCTFVZGHHAHC-UHFFFAOYSA-N -1 0 421.927 4.964 50 0 HJAARM CC(C)[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1)c1cccs1 ZINC000040145170 571195312 /nfs/dbraw/zinc/19/53/12/571195312.db2.gz YYTBRXHQBSTPIX-SFHVURJKSA-N -1 0 420.581 4.738 50 0 HJAARM Cc1cnc([N-]c2nc3ccccc3o2)nc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000009013021 571210995 /nfs/dbraw/zinc/21/09/95/571210995.db2.gz NGUHYRNKKSDQIX-UHFFFAOYSA-N -1 0 413.359 4.941 50 0 HJAARM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2F)ccc1Cl ZINC000009355970 571250935 /nfs/dbraw/zinc/25/09/35/571250935.db2.gz QTLWORWVTTZVIM-UHFFFAOYSA-N -1 0 418.877 4.841 50 0 HJAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cc(-c3cnc(C)o3)ccc2C)c1 ZINC000009807751 571285892 /nfs/dbraw/zinc/28/58/92/571285892.db2.gz PUHYMDOHHUDMCL-UHFFFAOYSA-N -1 0 416.499 4.557 50 0 HJAARM COCc1cc(C)nc2sc3c([n-]c(-c4ccc(Cl)c(Cl)c4)nc3=O)c21 ZINC000078549432 571313615 /nfs/dbraw/zinc/31/36/15/571313615.db2.gz IDEHSLKNARKRJL-UHFFFAOYSA-N -1 0 406.294 4.961 50 0 HJAARM CCOc1ccccc1S(=O)(=O)[N-]c1cccc(-c2nc3cccnc3s2)c1 ZINC000004200729 571316257 /nfs/dbraw/zinc/31/62/57/571316257.db2.gz WUCOUSNBWJTREE-UHFFFAOYSA-N -1 0 411.508 4.558 50 0 HJAARM Cc1cc(C)cc(S(=O)(=O)Nc2ccc(N3CCCCCCC3)c(C(=O)[O-])c2)c1 ZINC000032962200 524457714 /nfs/dbraw/zinc/45/77/14/524457714.db2.gz BGCIOZZWCKPSMR-UHFFFAOYSA-N -1 0 416.543 4.573 50 0 HJAARM O=C([O-])c1cccc(NC(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)c1 ZINC000032593764 526392493 /nfs/dbraw/zinc/39/24/93/526392493.db2.gz MTNUOJUFNHGSBP-UHFFFAOYSA-N -1 0 417.849 4.512 50 0 HJAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2nc(-c3ccc4c(c3)OCO4)cc(C(F)F)c12 ZINC000020603707 527521556 /nfs/dbraw/zinc/52/15/56/527521556.db2.gz WENBYUABUPJUPH-UHFFFAOYSA-N -1 0 423.375 4.760 50 0 HJAARM O=C([O-])C/C(=C/c1ccccc1I)c1nc2ccccc2s1 ZINC000032642062 527551583 /nfs/dbraw/zinc/55/15/83/527551583.db2.gz ZPMWGEMMDPIAIU-XFXZXTDPSA-N -1 0 421.259 4.916 50 0 HJAARM O=C(Cc1cccc2c1cccc2S(=O)[O-])NC(c1ccccc1)c1ccccc1 ZINC000000622290 557019751 /nfs/dbraw/zinc/01/97/51/557019751.db2.gz DQKUHQGDWWMCIU-UHFFFAOYSA-N -1 0 415.514 4.869 50 0 HJAARM CC(C)COC(=O)c1ccc(NC(=O)c2cc(Cl)c(Cl)cc2C(=O)[O-])cc1 ZINC000000824806 557093483 /nfs/dbraw/zinc/09/34/83/557093483.db2.gz PFVSNCDODQSACT-UHFFFAOYSA-N -1 0 410.253 4.757 50 0 HJAARM O=C([O-])c1ccccc1NC(=O)c1cccc(NC(=O)CSCc2ccccc2)c1 ZINC000001065021 557165947 /nfs/dbraw/zinc/16/59/47/557165947.db2.gz GQSYSRJPOSZQLT-UHFFFAOYSA-N -1 0 420.490 4.509 50 0 HJAARM O=C([O-])C[C@@H](Cc1ccsc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002385907 557342974 /nfs/dbraw/zinc/34/29/74/557342974.db2.gz LLLVDBJEAPYRRR-MRXNPFEDSA-N -1 0 407.491 4.673 50 0 HJAARM C[C@@H](OC(C)(C)C)[C@@H](C(=O)[O-])N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002389704 557343409 /nfs/dbraw/zinc/34/34/09/557343409.db2.gz VIUVLZHFMIFLHU-VFNWGFHPSA-N -1 0 411.498 4.524 50 0 HJAARM CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)[O-] ZINC000002389660 557343459 /nfs/dbraw/zinc/34/34/59/557343459.db2.gz XQYZCRNBTXDHCJ-QHCPKHFHSA-N -1 0 419.477 4.530 50 0 HJAARM Cc1ccc(C)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccs2)c1 ZINC000002421863 557346441 /nfs/dbraw/zinc/34/64/41/557346441.db2.gz JLZZEKIBXHLLDH-UHFFFAOYSA-N -1 0 410.524 4.853 50 0 HJAARM COc1cc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)[O-])cc(OC)c1OC ZINC000003885044 557502582 /nfs/dbraw/zinc/50/25/82/557502582.db2.gz QCQQUVYMWQPHRO-RVDMUPIBSA-N -1 0 405.450 4.836 50 0 HJAARM CCOC(=O)c1cc(C(C)C)sc1NC(=O)[C@@H]1[C@H]2CC[C@H](C2=C(C)C)[C@@H]1C(=O)[O-] ZINC000004651465 557575924 /nfs/dbraw/zinc/57/59/24/557575924.db2.gz KMGHPDNJIREZLH-DECQCQTCSA-N -1 0 419.543 4.680 50 0 HJAARM CCOC(=O)c1c(NC(=O)/C=C/C(=O)[O-])sc(C)c1-c1ccc(CC(C)C)cc1 ZINC000002758924 557758188 /nfs/dbraw/zinc/75/81/88/557758188.db2.gz KMDCATFIOSAYIU-ZHACJKMWSA-N -1 0 415.511 4.678 50 0 HJAARM Cc1cc(C)nc([N-]c2n[nH]c(-c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)n2)n1 ZINC000009341686 557838122 /nfs/dbraw/zinc/83/81/22/557838122.db2.gz HYYXXYJJUMEHQC-UHFFFAOYSA-N -1 0 419.876 4.528 50 0 HJAARM CC1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(F)cc2)CC1 ZINC000022852210 557839855 /nfs/dbraw/zinc/83/98/55/557839855.db2.gz MCEPXOIHZQNWJH-QGZVFWFLSA-N -1 0 412.490 4.717 50 0 HJAARM CCN1c2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)c3cccc(c23)C1=O ZINC000011615789 558264796 /nfs/dbraw/zinc/26/47/96/558264796.db2.gz DABHWZKLZLRXHO-UHFFFAOYSA-N -1 0 402.475 4.774 50 0 HJAARM COc1cc2c(cc1NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)oc1ccccc12 ZINC000013253574 558527968 /nfs/dbraw/zinc/52/79/68/558527968.db2.gz XPWGIBNTGKXWIZ-DEOSSOPVSA-N -1 0 403.434 4.966 50 0 HJAARM Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(C(=O)[O-])cc1Br ZINC000013316479 558529894 /nfs/dbraw/zinc/52/98/94/558529894.db2.gz MTFSLIXEXHOQEO-SNVBAGLBSA-N -1 0 412.667 4.515 50 0 HJAARM O=C([O-])c1cc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)ccc1Cl ZINC000013522242 558536535 /nfs/dbraw/zinc/53/65/35/558536535.db2.gz KFJXRBOAMJVJNS-UHFFFAOYSA-N -1 0 424.909 4.683 50 0 HJAARM O=S(=O)([N-]c1ccc2c(c1)OC1(CCCCC1)O2)c1ccccc1C(F)(F)F ZINC000028783579 558704522 /nfs/dbraw/zinc/70/45/22/558704522.db2.gz XMAXAEAKMKZICA-UHFFFAOYSA-N -1 0 413.417 4.938 50 0 HJAARM CCCCN(CC)c1cc(C(=O)[O-])c2cc(NC(=O)c3ccccc3OC)ccc2n1 ZINC000033010234 558829661 /nfs/dbraw/zinc/82/96/61/558829661.db2.gz RZIWXIUDGIILKF-UHFFFAOYSA-N -1 0 421.497 4.820 50 0 HJAARM Cc1c(C(=O)Nc2cc(Cl)cc(Br)c2[O-])cnn1-c1ccccc1F ZINC000072313298 558840191 /nfs/dbraw/zinc/84/01/91/558840191.db2.gz CRQKMRNXQMUOKF-UHFFFAOYSA-N -1 0 424.657 4.694 50 0 HJAARM O=C(c1ccccc1)c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000068740841 558864755 /nfs/dbraw/zinc/86/47/55/558864755.db2.gz GAUNSMMZGGAINB-UHFFFAOYSA-N -1 0 405.397 4.737 50 0 HJAARM CCCCN(C)c1ccc(NS(=O)(=O)c2ccc(CC(C)C)cc2)cc1C(=O)[O-] ZINC000033253364 558921539 /nfs/dbraw/zinc/92/15/39/558921539.db2.gz ZKGHPRLJQLXRKU-UHFFFAOYSA-N -1 0 418.559 4.620 50 0 HJAARM Cc1sc(-c2nc(-c3ccc(F)cc3)no2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000064450511 558963576 /nfs/dbraw/zinc/96/35/76/558963576.db2.gz NDLJNPMSOUILEY-UHFFFAOYSA-N -1 0 415.471 4.713 50 0 HJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(-c2cc(C(F)(F)F)on2)sc1C ZINC000033299299 559049291 /nfs/dbraw/zinc/04/92/91/559049291.db2.gz GDHOVOLDJUUSFU-UHFFFAOYSA-N -1 0 418.418 4.540 50 0 HJAARM CC[C@H](C)[C@H]1SC[C@@H](C(=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240460 559056356 /nfs/dbraw/zinc/05/63/56/559056356.db2.gz HRIYWBAEXOUWJP-SZFUDVHCSA-N -1 0 411.523 4.810 50 0 HJAARM CCCCCn1c(=O)c(C(=O)Nc2cc(Cl)ccc2OC)c([O-])c2ccccc21 ZINC000100534663 559136283 /nfs/dbraw/zinc/13/62/83/559136283.db2.gz SHVVIZJNSNCSAU-UHFFFAOYSA-N -1 0 414.889 4.812 50 0 HJAARM CC[C@H](C)n1c(CNC(=O)c2cccc(C(F)(F)F)c2)nc2cc(C(=O)[O-])ccc21 ZINC000035620459 559187451 /nfs/dbraw/zinc/18/74/51/559187451.db2.gz JURJUPABOACTAB-LBPRGKRZSA-N -1 0 419.403 4.654 50 0 HJAARM Cc1ccc2nc(-c3ccc(N4C(=O)[C@@H]5CCCC[C@@H]5C4=O)cc3)cc(C(=O)[O-])c2c1 ZINC000100396092 559198534 /nfs/dbraw/zinc/19/85/34/559198534.db2.gz RGULEELSAFQNCT-HDICACEKSA-N -1 0 414.461 4.588 50 0 HJAARM Cc1nn(Cc2cccc(Cl)c2)c(C)c1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000002804959 560587636 /nfs/dbraw/zinc/58/76/36/560587636.db2.gz CUOKPPJNBTWNRY-UHFFFAOYSA-N -1 0 410.326 4.656 50 0 HJAARM O=S(=O)([N-]c1nc2ccccc2nc1NCc1ccccc1Cl)c1ccccc1 ZINC000017207398 560704016 /nfs/dbraw/zinc/70/40/16/560704016.db2.gz FMQCLVOOPXUEOO-UHFFFAOYSA-N -1 0 424.913 4.696 50 0 HJAARM O=S(=O)([N-]c1nc2ccccc2nc1NCCC1=CCCCC1)c1cccs1 ZINC000017247578 560704830 /nfs/dbraw/zinc/70/48/30/560704830.db2.gz AGAIIWPSSIYHPU-UHFFFAOYSA-N -1 0 414.556 4.795 50 0 HJAARM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000004826485 560736576 /nfs/dbraw/zinc/73/65/76/560736576.db2.gz SOOAIZBDJIVQCV-JTQLQIEISA-N -1 0 412.667 4.515 50 0 HJAARM Cn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccccc3)C2)c(=O)n(C)c1=S ZINC000101494879 560796088 /nfs/dbraw/zinc/79/60/88/560796088.db2.gz LWHQQPYCQBKIKP-QGZVFWFLSA-N -1 0 409.536 4.517 50 0 HJAARM Cc1nc(-n2[n-]c(C)c(Cc3ccc(C)cc3)c2=O)sc1C(=O)N1CCCCCC1 ZINC000101505378 560796728 /nfs/dbraw/zinc/79/67/28/560796728.db2.gz KTIHCPIUVWCYSD-UHFFFAOYSA-N -1 0 424.570 4.567 50 0 HJAARM O=C([O-])CN(Cc1ccc(F)cc1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000044831636 560897418 /nfs/dbraw/zinc/89/74/18/560897418.db2.gz MZHRUDSAOCPRKF-UHFFFAOYSA-N -1 0 405.425 4.661 50 0 HJAARM CC1CCN([C@@H](c2cccs2)c2sc3nc(-c4ccco4)nn3c2[O-])CC1 ZINC000022852563 568415643 /nfs/dbraw/zinc/41/56/43/568415643.db2.gz FENZKNZTVGUNDT-HNNXBMFYSA-N -1 0 400.529 4.639 50 0 HJAARM O=S(=O)([N-]c1cccc(-c2cn3cccnc3n2)c1)c1cc(Cl)ccc1Cl ZINC000012292895 568461780 /nfs/dbraw/zinc/46/17/80/568461780.db2.gz NOSJBVGLSDHCCN-UHFFFAOYSA-N -1 0 419.293 4.504 50 0 HJAARM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2ccc(F)c(F)c2F)S1 ZINC000096117334 568696871 /nfs/dbraw/zinc/69/68/71/568696871.db2.gz FGWCDZCYJMPXTM-MGPLVRAMSA-N -1 0 411.449 4.610 50 0 HJAARM Cc1sc(-c2ccno2)cc1S(=O)(=O)[N-]c1ccc(Br)c(C)c1 ZINC000096323607 568732171 /nfs/dbraw/zinc/73/21/71/568732171.db2.gz WQQCOOMCQSIPOT-UHFFFAOYSA-N -1 0 413.318 4.583 50 0 HJAARM Cc1[nH]c2ccccc2c1[C@H]([N-]S(=O)(=O)c1ccccc1)C(Cl)(Cl)Cl ZINC000001065171 568766419 /nfs/dbraw/zinc/76/64/19/568766419.db2.gz DQHOILISLFJVTD-INIZCTEOSA-N -1 0 417.745 4.866 50 0 HJAARM Cc1cc(C(F)F)nn1[C@H](C)c1nnc([N-]c2ccn(Cc3ccccc3)n2)s1 ZINC000002731303 568804933 /nfs/dbraw/zinc/80/49/33/568804933.db2.gz VJUMWBYFMPMHGE-CYBMUJFWSA-N -1 0 415.473 4.578 50 0 HJAARM CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])sc(C)c1-c1ccccc1 ZINC000005953048 568832207 /nfs/dbraw/zinc/83/22/07/568832207.db2.gz RFDFVGVRSUKMKA-CVEARBPZSA-N -1 0 413.495 4.506 50 0 HJAARM Cc1c(CCc2ccncc2)n2ccccc2c1C(=S)Nc1ccc(C(=O)[O-])cc1 ZINC000012534120 568844786 /nfs/dbraw/zinc/84/47/86/568844786.db2.gz PLZOKALPVKCVDG-UHFFFAOYSA-N -1 0 415.518 4.914 50 0 HJAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccccc1)c1ccc(Cl)cc1 ZINC000003104102 568855550 /nfs/dbraw/zinc/85/55/50/568855550.db2.gz KBHIERLFMWUFRO-UHFFFAOYSA-N -1 0 410.886 4.828 50 0 HJAARM O=S(=O)([N-]c1cnc(-c2ccccc2)nc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000012561164 568858505 /nfs/dbraw/zinc/85/85/05/568858505.db2.gz BEXKWEZETALLLT-UHFFFAOYSA-N -1 0 413.808 4.617 50 0 HJAARM O=C([O-])c1cc(-c2cccc3c2Sc2ccccc2S3)cc(-n2cnnn2)c1 ZINC000299782682 568875093 /nfs/dbraw/zinc/87/50/93/568875093.db2.gz HQQVUTQVPVNJEN-UHFFFAOYSA-N -1 0 404.476 4.643 50 0 HJAARM Cc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001233148 568881912 /nfs/dbraw/zinc/88/19/12/568881912.db2.gz HWGHWXQYBKHVPJ-UHFFFAOYSA-N -1 0 404.495 4.791 50 0 HJAARM Cc1nc(-n2[n-]c(C)c(CCC(C)C)c2=O)sc1C(=O)Nc1ccc(F)cc1 ZINC000015671523 568961837 /nfs/dbraw/zinc/96/18/37/568961837.db2.gz ZQEKVKQVOMWHJP-UHFFFAOYSA-N -1 0 402.495 4.631 50 0 HJAARM CCc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)cc1 ZINC000085664637 569006552 /nfs/dbraw/zinc/00/65/52/569006552.db2.gz PZRNGZUDWSWAIT-UHFFFAOYSA-N -1 0 401.435 4.520 50 0 HJAARM O=c1c2cc(Cl)cc(F)c2[n-]cc1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000015829475 569011809 /nfs/dbraw/zinc/01/18/09/569011809.db2.gz IWYSFYNMZMKCHE-UHFFFAOYSA-N -1 0 406.649 4.873 50 0 HJAARM O=C(Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1)C1CCCCC1 ZINC000015862094 569015657 /nfs/dbraw/zinc/01/56/57/569015657.db2.gz NIITWUZCVVNDDH-UHFFFAOYSA-N -1 0 415.540 4.616 50 0 HJAARM CCCCC(=O)Nc1cc2sc([N-]S(=O)(=O)c3ccccc3)nc2c(C)c1 ZINC000015862136 569015859 /nfs/dbraw/zinc/01/58/59/569015859.db2.gz DUPSWYHKTMKEGK-UHFFFAOYSA-N -1 0 403.529 4.534 50 0 HJAARM CCC[C@@H](Nc1nc2ccccc2cc1C)c1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000146533515 569016893 /nfs/dbraw/zinc/01/68/93/569016893.db2.gz KQBQZWBDDOVGRD-HXUWFJFHSA-N -1 0 405.498 4.701 50 0 HJAARM O=S(=O)([N-]c1ccccc1-c1cn2c(n1)CCCC2)c1ccccc1C(F)(F)F ZINC000575621429 569039075 /nfs/dbraw/zinc/03/90/75/569039075.db2.gz WYOMZQPTEJUAAX-UHFFFAOYSA-N -1 0 421.444 4.706 50 0 HJAARM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(-c3noc(C4CCCC4)n3)cs2)c1 ZINC000035557467 569044768 /nfs/dbraw/zinc/04/47/68/569044768.db2.gz INBWFIXYHHPFES-UHFFFAOYSA-N -1 0 403.529 4.873 50 0 HJAARM CCc1ccccc1[N-]S(=O)(=O)c1cc(-c2noc(C3CCCC3)n2)cs1 ZINC000035557402 569044779 /nfs/dbraw/zinc/04/47/79/569044779.db2.gz YYROHRHONUFFEP-UHFFFAOYSA-N -1 0 403.529 4.819 50 0 HJAARM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@@H](C)c2ccccc2)c(C)c1 ZINC000006362188 569045942 /nfs/dbraw/zinc/04/59/42/569045942.db2.gz CHJAZMGYCSDCRL-IBGZPJMESA-N -1 0 422.550 4.904 50 0 HJAARM CCCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)c(C(F)(F)F)oc2cc1[O-] ZINC000005444275 569060916 /nfs/dbraw/zinc/06/09/16/569060916.db2.gz LVEGNAJXHOVYKR-UHFFFAOYSA-N -1 0 406.356 4.908 50 0 biogenic HJAARM COC([O-])=NC(=O)c1c(C)c(C)sc1NC(=O)c1sc2ccccc2c1Cl ZINC000016689834 569070607 /nfs/dbraw/zinc/07/06/07/569070607.db2.gz BMJQLFIKAMZEEZ-UHFFFAOYSA-N -1 0 422.915 4.982 50 0 HJAARM Cc1csc(-c2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c(C)n2C)n1 ZINC000064668183 569078691 /nfs/dbraw/zinc/07/86/91/569078691.db2.gz XJMSKFLKOYTUCE-UHFFFAOYSA-N -1 0 415.462 4.585 50 0 HJAARM COc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1ccc(C)c(Cl)c1 ZINC000064670066 569079054 /nfs/dbraw/zinc/07/90/54/569079054.db2.gz UDLMWVOIDFAYPB-UHFFFAOYSA-N -1 0 408.932 4.890 50 0 HJAARM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1ccccc1CC ZINC000065060238 569164061 /nfs/dbraw/zinc/16/40/61/569164061.db2.gz LEUJVEBQOYMBGH-UHFFFAOYSA-N -1 0 402.541 4.880 50 0 HJAARM O=S(=O)([N-]c1ccc(F)cc1)c1cc(-c2nc(-c3cccc(F)c3)no2)cs1 ZINC000065098056 569176873 /nfs/dbraw/zinc/17/68/73/569176873.db2.gz BKWHDKQMEDDOEZ-UHFFFAOYSA-N -1 0 419.434 4.544 50 0 HJAARM C[C@@H]1CCc2c(sc3[nH]c(=O)c(C(=O)Nc4ccc(Cl)c(Cl)c4)c([O-])c23)C1 ZINC000065150399 569184833 /nfs/dbraw/zinc/18/48/33/569184833.db2.gz MISOIBCYKODMMW-MRVPVSSYSA-N -1 0 423.321 4.979 50 0 HJAARM COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)[N-]c1ccc(C)c(Cl)c1 ZINC000007005247 569198549 /nfs/dbraw/zinc/19/85/49/569198549.db2.gz AYNGFZMQDXGOBD-UHFFFAOYSA-N -1 0 406.891 4.730 50 0 HJAARM O=S(=O)([N-]c1cccc(OCc2ccccn2)c1)c1cc(Cl)ccc1Cl ZINC000036760510 569227125 /nfs/dbraw/zinc/22/71/25/569227125.db2.gz OYJCGRGLXQIMBI-UHFFFAOYSA-N -1 0 409.294 4.768 50 0 HJAARM Cc1c(OCc2c(Cl)cccc2Cl)ccc2c(C)c(CC(=O)[O-])c(=O)oc12 ZINC000002148387 569289764 /nfs/dbraw/zinc/28/97/64/569289764.db2.gz XTQLJFAKQDWLNA-UHFFFAOYSA-N -1 0 407.249 4.923 50 0 biogenic HJAARM Cc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC000002402224 569395625 /nfs/dbraw/zinc/39/56/25/569395625.db2.gz JTVBVDUHAGFTFO-UHFFFAOYSA-N -1 0 404.495 4.791 50 0 HJAARM O=C(Nc1ccccc1)Nc1ccc2sc([N-]S(=O)(=O)c3ccccc3)nc2c1 ZINC000013361348 569411859 /nfs/dbraw/zinc/41/18/59/569411859.db2.gz IQHIJBUZKSITFF-UHFFFAOYSA-N -1 0 424.507 4.741 50 0 HJAARM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)Nc1ccccc1O2 ZINC000008961226 571189769 /nfs/dbraw/zinc/18/97/69/571189769.db2.gz GJXIUKIOVIHIQG-UHFFFAOYSA-N -1 0 424.478 4.553 50 0 HJAARM COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1ccccc1C ZINC000009002252 571209756 /nfs/dbraw/zinc/20/97/56/571209756.db2.gz KGJVTJIWJJJQPE-UHFFFAOYSA-N -1 0 401.509 4.619 50 0 HJAARM Cc1cc(C)nc(O[C@H](C(=O)[O-])C(OCC(C)C)(c2ccccc2)c2ccccc2)n1 ZINC000009514017 571264644 /nfs/dbraw/zinc/26/46/44/571264644.db2.gz BSTDTMTYEAJBGB-JOCHJYFZSA-N -1 0 420.509 4.542 50 0 HJAARM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)N2CCCCCC2)cs1 ZINC000045961727 524757244 /nfs/dbraw/zinc/75/72/44/524757244.db2.gz IBINKCHHKMZHBD-UHFFFAOYSA-N -1 0 412.964 4.527 50 0 HJAARM O=c1[n-]c(SCCOc2ccccc2)nc2c1sc(=S)n2-c1ccccc1 ZINC000032948493 527442212 /nfs/dbraw/zinc/44/22/12/527442212.db2.gz BNEUVPDMVSSUTC-UHFFFAOYSA-N -1 0 413.549 4.676 50 0 HJAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(Cl)cc1)c1ccccc1 ZINC000000752011 557075548 /nfs/dbraw/zinc/07/55/48/557075548.db2.gz RMFVOAYUDNKBRS-UHFFFAOYSA-N -1 0 410.886 4.828 50 0 HJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(F)cc2)cc1 ZINC000001023194 557144159 /nfs/dbraw/zinc/14/41/59/557144159.db2.gz YYRPJFLJYBHQJU-UHFFFAOYSA-N -1 0 408.458 4.622 50 0 HJAARM O=S(=O)([N-]c1cc(Cl)ccc1Oc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000001121822 557191572 /nfs/dbraw/zinc/19/15/72/557191572.db2.gz SBNLWNZRJZEPSR-UHFFFAOYSA-N -1 0 417.870 4.704 50 0 HJAARM Cc1cc(C)cc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC000001156498 557214343 /nfs/dbraw/zinc/21/43/43/557214343.db2.gz SHJURSMDCZMNKP-UHFFFAOYSA-N -1 0 404.495 4.791 50 0 HJAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2Cl)cc1 ZINC000001165636 557220530 /nfs/dbraw/zinc/22/05/30/557220530.db2.gz CTUMULVMYDLGHO-UHFFFAOYSA-N -1 0 400.887 4.702 50 0 HJAARM COc1ccccc1[C@@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002389061 557343395 /nfs/dbraw/zinc/34/33/95/557343395.db2.gz JMHQFXYSVGDAGJ-JOCHJYFZSA-N -1 0 417.461 4.750 50 0 HJAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000002851792 557405173 /nfs/dbraw/zinc/40/51/73/557405173.db2.gz SHTGHKCCRQXOKH-UHFFFAOYSA-N -1 0 416.886 4.892 50 0 HJAARM CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000003864257 557501604 /nfs/dbraw/zinc/50/16/04/557501604.db2.gz ANRGOALEWVPWRX-JKSUJKDBSA-N -1 0 415.511 4.730 50 0 HJAARM CC(C)OC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000003864276 557501620 /nfs/dbraw/zinc/50/16/20/557501620.db2.gz IDLBJAWSPQZDTF-CVEARBPZSA-N -1 0 415.511 4.810 50 0 HJAARM CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000004179875 557525546 /nfs/dbraw/zinc/52/55/46/557525546.db2.gz RJFSKMAIQNEYCC-HUUCEWRRSA-N -1 0 419.474 4.560 50 0 HJAARM CCc1ccc2nc([N-]c3ncc4c(n3)C[C@H](c3ccccc3)CC4=O)nc(C)c2c1 ZINC000004777056 557597166 /nfs/dbraw/zinc/59/71/66/557597166.db2.gz VRKHWXCJILMKGE-SFHVURJKSA-N -1 0 409.493 4.947 50 0 HJAARM COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000002767826 557760209 /nfs/dbraw/zinc/76/02/09/557760209.db2.gz OENBRSLSVSGSTI-HOTGVXAUSA-N -1 0 415.511 4.648 50 0 HJAARM CC1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(F)cc2)CC1 ZINC000022852208 557839875 /nfs/dbraw/zinc/83/98/75/557839875.db2.gz MCEPXOIHZQNWJH-KRWDZBQOSA-N -1 0 412.490 4.717 50 0 HJAARM Cn1c2ccccc2c([C@@H]2c3ccccc3C(=O)N2CC(=O)[O-])c1-c1ccc(F)cc1 ZINC000009526148 557845028 /nfs/dbraw/zinc/84/50/28/557845028.db2.gz OCOHWMKYWBSCIV-DEOSSOPVSA-N -1 0 414.436 4.614 50 0 HJAARM O=S(=O)([N-]c1ccccc1-c1nnc2n1CCCCC2)c1ccc2ccccc2c1 ZINC000023370930 558552917 /nfs/dbraw/zinc/55/29/17/558552917.db2.gz WFBKWRDFXIRKKP-UHFFFAOYSA-N -1 0 418.522 4.626 50 0 HJAARM Cc1cc(S(=O)(=O)[N-]c2cccc(NC(=O)Nc3ccccc3)c2)c(C)s1 ZINC000023399800 558556689 /nfs/dbraw/zinc/55/66/89/558556689.db2.gz MJXRELWWAYJIDS-UHFFFAOYSA-N -1 0 401.513 4.810 50 0 HJAARM Cc1ccc(C(=O)[O-])c(NC(=O)CSc2ccc(Cl)cc2)c1Br ZINC000013943539 558605364 /nfs/dbraw/zinc/60/53/64/558605364.db2.gz AGBOVVWLSQDAKD-UHFFFAOYSA-N -1 0 414.708 4.840 50 0 HJAARM Cc1ccsc1C(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1F ZINC000025132161 558632185 /nfs/dbraw/zinc/63/21/85/558632185.db2.gz FGJQMLGQNLMSTO-UHFFFAOYSA-N -1 0 424.906 4.902 50 0 HJAARM Cc1ccc(S(=O)(=O)[N-]c2nn(CC(C)C)c3nc4cc(C)ccc4cc23)cc1 ZINC000017016791 558811865 /nfs/dbraw/zinc/81/18/65/558811865.db2.gz CLJSXOUVACZGII-UHFFFAOYSA-N -1 0 408.527 4.658 50 0 HJAARM COC(=O)c1c(C)c(C)sc1NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000017083133 558815599 /nfs/dbraw/zinc/81/55/99/558815599.db2.gz OEXCDVRJJFRCIV-UHFFFAOYSA-N -1 0 405.328 4.973 50 0 HJAARM CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C[C@@H](C)CC(=O)[O-])c2C(=O)OC)C1 ZINC000017088319 558817136 /nfs/dbraw/zinc/81/71/36/558817136.db2.gz OCYUETVFUZNGMC-CHWSQXEVSA-N -1 0 409.548 4.515 50 0 HJAARM CCc1sc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c(C(=O)OC)c1-c1ccccc1 ZINC000017090326 558819028 /nfs/dbraw/zinc/81/90/28/558819028.db2.gz KCKYVNCGERSSQD-HUUCEWRRSA-N -1 0 415.511 4.594 50 0 HJAARM CC1=C(C)C[C@H](C(=O)Nc2sccc2C(=O)Nc2ccccc2F)[C@H](C(=O)[O-])C1 ZINC000017090608 558819317 /nfs/dbraw/zinc/81/93/17/558819317.db2.gz XNYRIWJDRNQUAC-LSDHHAIUSA-N -1 0 416.474 4.525 50 0 HJAARM COc1cc(OC)c(C(=O)[O-])cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000039959760 558822869 /nfs/dbraw/zinc/82/28/69/558822869.db2.gz XBMMIJUPPGWWFA-UHFFFAOYSA-N -1 0 419.433 4.763 50 0 HJAARM Cc1csc(-c2csc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)c2)n1 ZINC000033170937 558903963 /nfs/dbraw/zinc/90/39/63/558903963.db2.gz GQYWHKQQKAORNI-UHFFFAOYSA-N -1 0 420.459 4.879 50 0 HJAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)o1 ZINC000033263917 558969001 /nfs/dbraw/zinc/96/90/01/558969001.db2.gz VFQVXUWNBQNVDB-UHFFFAOYSA-N -1 0 400.378 4.625 50 0 HJAARM CCOc1ccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2n[nH]c(C)c2C)cc1 ZINC000033306725 559051778 /nfs/dbraw/zinc/05/17/78/559051778.db2.gz QZTIFADATSHLAJ-UHFFFAOYSA-N -1 0 405.545 4.571 50 0 HJAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2csc(CC)n2)sc1C ZINC000033308446 559052616 /nfs/dbraw/zinc/05/26/16/559052616.db2.gz RVWZOSQVXZLNDA-UHFFFAOYSA-N -1 0 408.570 4.942 50 0 HJAARM O=C([O-])c1cccc(NS(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)c1 ZINC000095067840 559079154 /nfs/dbraw/zinc/07/91/54/559079154.db2.gz QXSFFURZDXELKC-UHFFFAOYSA-N -1 0 403.843 4.631 50 0 HJAARM CCCCn1c(=O)c(C(=O)Nc2cccc(Br)c2)c([O-])c2ccccc21 ZINC000100658273 559137400 /nfs/dbraw/zinc/13/74/00/559137400.db2.gz HGYUDGVISXDTDM-UHFFFAOYSA-N -1 0 415.287 4.522 50 0 HJAARM O=c1cc(C2CCN(C(=S)Nc3cccc(Cl)c3)CC2)[n-]n1-c1ccccc1 ZINC000100287744 559192781 /nfs/dbraw/zinc/19/27/81/559192781.db2.gz PPIBDXOPZBZMSU-UHFFFAOYSA-N -1 0 412.946 4.808 50 0 HJAARM COc1ccc(Cl)cc1NC(=O)c1c([O-])c2ccccc2n(CCC(C)C)c1=O ZINC000100678069 559254464 /nfs/dbraw/zinc/25/44/64/559254464.db2.gz OYMDYDAVHSOKQX-UHFFFAOYSA-N -1 0 414.889 4.668 50 0 HJAARM CC(C)(C)c1cc(N2C(=O)C(c3ccc(F)cc3)=C([O-])C2=C(O)c2ccccc2)no1 ZINC000136552205 560598500 /nfs/dbraw/zinc/59/85/00/560598500.db2.gz VSBPWAUWPPXJAW-HXUWFJFHSA-N -1 0 420.440 4.679 50 0 HJAARM CCc1ccc(NC(=O)Cc2c(C)[n-]n(-c3nc(-c4ccccc4)cs3)c2=O)cc1 ZINC000101505287 560796594 /nfs/dbraw/zinc/79/65/94/560796594.db2.gz UTIODFBTKSPHNK-UHFFFAOYSA-N -1 0 418.522 4.753 50 0 HJAARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1CC(=O)Nc1cccc(Cl)c1 ZINC000101831140 560802912 /nfs/dbraw/zinc/80/29/12/560802912.db2.gz PGBHIRAAFADIMY-UHFFFAOYSA-N -1 0 424.913 4.844 50 0 HJAARM O=C([O-])[C@H](Sc1cc(C(F)(F)F)c2cc3c(cc2n1)OCO3)c1ccccc1 ZINC000012139486 560890058 /nfs/dbraw/zinc/89/00/58/560890058.db2.gz NAKGSUWEQCHTHL-QGZVFWFLSA-N -1 0 407.369 4.900 50 0 HJAARM Cc1cccc(C(=O)Nc2ccc(N3CC[C@@H](c4ccccc4)C3)c(C(=O)[O-])c2)c1 ZINC000046053651 568425499 /nfs/dbraw/zinc/42/54/99/568425499.db2.gz FKPGBNVDFLCNKE-HXUWFJFHSA-N -1 0 400.478 4.939 50 0 HJAARM CC(C)c1ccc(NC(=O)c2ccccc2NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000000627582 568456092 /nfs/dbraw/zinc/45/60/92/568456092.db2.gz KYYCBOGDJGRCEP-OALUTQOASA-N -1 0 408.498 4.892 50 0 HJAARM O=C([O-])/C=C/c1cc(Br)cc(Br)c1OCc1ccccc1 ZINC000022077357 568473666 /nfs/dbraw/zinc/47/36/66/568473666.db2.gz KTDZUOVAUCFEGF-VOTSOKGWSA-N -1 0 412.077 4.888 50 0 HJAARM O=C([O-])[C@@H](NC(=O)C[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1)c1ccccc1 ZINC000218329207 568478482 /nfs/dbraw/zinc/47/84/82/568478482.db2.gz URCAJYGASOUSQE-IRLDBZIGSA-N -1 0 411.860 4.943 50 0 HJAARM CSc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C(=O)[O-])cc2)cc1 ZINC000008446611 568501222 /nfs/dbraw/zinc/50/12/22/568501222.db2.gz YSVMSBUIPSPDLC-OVCLIPMQSA-N -1 0 414.486 4.976 50 0 HJAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2cc(C)no2)ccc1C(C)C ZINC000020979000 568654247 /nfs/dbraw/zinc/65/42/47/568654247.db2.gz GJRASWKKSRQAOI-UHFFFAOYSA-N -1 0 400.500 4.973 50 0 HJAARM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@H](c2ccc(F)c(F)c2F)S1 ZINC000096117332 568696656 /nfs/dbraw/zinc/69/66/56/568696656.db2.gz FGWCDZCYJMPXTM-QFYYESIMSA-N -1 0 411.449 4.610 50 0 HJAARM COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1c(C)cccc1C ZINC000012414316 568717050 /nfs/dbraw/zinc/71/70/50/568717050.db2.gz GRWHASUWAPQDBR-UHFFFAOYSA-N -1 0 415.536 4.928 50 0 HJAARM CCn1c(CSc2ncnc3sc4c(c32)CCC4)nc2cc(C(=O)[O-])ccc21 ZINC000002659459 568798730 /nfs/dbraw/zinc/79/87/30/568798730.db2.gz QOLRKEOWLFIUPL-UHFFFAOYSA-N -1 0 410.524 4.540 50 0 HJAARM O=C(CCCCCn1c(=O)c2sccc2[n-]c1=S)NCc1cccc(Cl)c1 ZINC000002925550 568817408 /nfs/dbraw/zinc/81/74/08/568817408.db2.gz KVDNOBZWSOVPCD-UHFFFAOYSA-N -1 0 421.975 4.651 50 0 HJAARM COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000263618300 568912488 /nfs/dbraw/zinc/91/24/88/568912488.db2.gz SCYWIWOKWVMRRX-UHFFFAOYSA-N -1 0 413.879 4.590 50 0 HJAARM CCc1cccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)c1 ZINC000085664746 569006654 /nfs/dbraw/zinc/00/66/54/569006654.db2.gz WENKDDRAPCPVAA-UHFFFAOYSA-N -1 0 401.435 4.520 50 0 HJAARM CC(C)Cc1ccc([C@H](C)NC(=O)COc2cc3ccccc3cc2C(=O)[O-])cc1 ZINC000012851734 569010485 /nfs/dbraw/zinc/01/04/85/569010485.db2.gz WCEIQPDZPKGLFE-KRWDZBQOSA-N -1 0 405.494 4.993 50 0 HJAARM Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C ZINC000035539381 569043674 /nfs/dbraw/zinc/04/36/74/569043674.db2.gz HOHQMEUCLHIORD-UHFFFAOYSA-N -1 0 409.920 4.747 50 0 HJAARM CCOc1ccc(/C=C2\CN(CC)Cc3c2nc2ccccc2c3C(=O)[O-])cc1OC ZINC000006429636 569048806 /nfs/dbraw/zinc/04/88/06/569048806.db2.gz DAHMRJQFFHIZQV-SFQUDFHCSA-N -1 0 418.493 4.716 50 0 HJAARM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1OCC(F)(F)F)c1cccs1 ZINC000006588864 569068191 /nfs/dbraw/zinc/06/81/91/569068191.db2.gz KJBLDCYYNFQXOW-UHFFFAOYSA-N -1 0 405.341 4.509 50 0 HJAARM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1cc(C)ccc1C ZINC000064670171 569079040 /nfs/dbraw/zinc/07/90/40/569079040.db2.gz RIPNJJFQNDJHIW-UHFFFAOYSA-N -1 0 402.541 4.935 50 0 HJAARM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000064670118 569079079 /nfs/dbraw/zinc/07/90/79/569079079.db2.gz KGUXWSMOBIVFNK-UHFFFAOYSA-N -1 0 408.932 4.971 50 0 HJAARM CCOc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(OC)cc2)cc1 ZINC000064796772 569096789 /nfs/dbraw/zinc/09/67/89/569096789.db2.gz JMRYZUIKOVMEBI-KRWDZBQOSA-N -1 0 423.490 4.995 50 0 HJAARM Cc1sc(C)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1-c1ccno1 ZINC000064844937 569107985 /nfs/dbraw/zinc/10/79/85/569107985.db2.gz HBFWPKVWHJQYII-UHFFFAOYSA-N -1 0 402.419 4.840 50 0 HJAARM Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2cccc(-c3ccno3)c2)on1 ZINC000064845646 569108109 /nfs/dbraw/zinc/10/81/09/569108109.db2.gz QJISJEBOICNWNR-UHFFFAOYSA-N -1 0 415.496 4.784 50 0 HJAARM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1cccc(CC)c1 ZINC000065060281 569164116 /nfs/dbraw/zinc/16/41/16/569164116.db2.gz SCAPETIMJXCUPI-UHFFFAOYSA-N -1 0 402.541 4.880 50 0 HJAARM COc1cccc([C@@H]2Nc3c(C(=O)[O-])cccc3[C@@H]3c4ccccc4C[C@H]32)c1OC ZINC000239402813 569233629 /nfs/dbraw/zinc/23/36/29/569233629.db2.gz REQDACGXRQSKGJ-NWSQWKLXSA-N -1 0 401.462 4.873 50 0 HJAARM Cc1c2ccc(OCc3ccc(Cl)c(Cl)c3)c(C)c2oc(=O)c1CC(=O)[O-] ZINC000002092427 569280420 /nfs/dbraw/zinc/28/04/20/569280420.db2.gz DYNDQMQQEIXXCC-UHFFFAOYSA-N -1 0 407.249 4.923 50 0 biogenic HJAARM CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2nc3ccccc3s2)c1=O ZINC000100498566 569283733 /nfs/dbraw/zinc/28/37/33/569283733.db2.gz MRGYJWQAKQHKLO-UHFFFAOYSA-N -1 0 407.495 4.759 50 0 HJAARM Cc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)c1C ZINC000002239911 569322726 /nfs/dbraw/zinc/32/27/26/569322726.db2.gz YUPQLNNLZGZNKN-UHFFFAOYSA-N -1 0 404.495 4.791 50 0 HJAARM CCc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccs2)cc1 ZINC000002335733 569375978 /nfs/dbraw/zinc/37/59/78/569375978.db2.gz HVDBGOFHGXVYPK-UHFFFAOYSA-N -1 0 410.524 4.798 50 0 HJAARM CCOC(=O)c1cnc2ccc(OC(F)(F)F)cc2c1Nc1ccccc1C(=O)[O-] ZINC000008590648 571085517 /nfs/dbraw/zinc/08/55/17/571085517.db2.gz FWJMVZAVAUGMDX-UHFFFAOYSA-N -1 0 420.343 4.752 50 0 HJAARM CC(C)CCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(Cl)s3)ccc21 ZINC000008840945 571123974 /nfs/dbraw/zinc/12/39/74/571123974.db2.gz CMAUANQSHOQANB-UHFFFAOYSA-N -1 0 412.964 4.528 50 0 HJAARM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000010273801 571299063 /nfs/dbraw/zinc/29/90/63/571299063.db2.gz GYNVDKXYQCVPCD-UHFFFAOYSA-N -1 0 415.414 4.508 50 0 HJAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2onc(C)c2C)ccc1C ZINC000020580623 524246606 /nfs/dbraw/zinc/24/66/06/524246606.db2.gz UMHMYYFUFUOPGL-UHFFFAOYSA-N -1 0 406.891 4.730 50 0 HJAARM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000214490568 557258386 /nfs/dbraw/zinc/25/83/86/557258386.db2.gz QFVKHZGPQOFFBR-QGZVFWFLSA-N -1 0 401.462 4.911 50 0 HJAARM O=C(NC([N-]c1nc2ccccc2s1)(C(F)(F)F)C(F)(F)F)c1ccccc1 ZINC000003138651 557450485 /nfs/dbraw/zinc/45/04/85/557450485.db2.gz HBMOUXJJYPOSOM-UHFFFAOYSA-N -1 0 419.350 4.959 50 0 HJAARM O=C([O-])[C@@H](CCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000004208799 557528845 /nfs/dbraw/zinc/52/88/45/557528845.db2.gz CIHPCIUGLIZADU-HSZRJFAPSA-N -1 0 401.462 4.611 50 0 HJAARM COc1ccc(Oc2ccc(C(F)(F)F)c(NC(=O)[C@@H]3CC[C@H]3C(=O)[O-])c2)cc1 ZINC000004324277 557541365 /nfs/dbraw/zinc/54/13/65/557541365.db2.gz RIZPTYIKLAAVSJ-HUUCEWRRSA-N -1 0 409.360 4.556 50 0 HJAARM CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(Br)cc2C(=O)[O-])cc1 ZINC000004600293 557571314 /nfs/dbraw/zinc/57/13/14/557571314.db2.gz UWXQYAXWSNBOTL-LBPRGKRZSA-N -1 0 406.276 4.678 50 0 HJAARM CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000004819852 557602252 /nfs/dbraw/zinc/60/22/52/557602252.db2.gz FIIOADBBMNRRFZ-LBPRGKRZSA-N -1 0 406.276 4.678 50 0 HJAARM C[C@H](c1ccccc1)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000005723169 557670718 /nfs/dbraw/zinc/67/07/18/557670718.db2.gz ZQWJZRLWGALBIQ-MWTRTKDXSA-N -1 0 401.462 4.782 50 0 HJAARM Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000002764392 557756386 /nfs/dbraw/zinc/75/63/86/557756386.db2.gz OIWSFWBHFOMXDU-UHFFFAOYSA-N -1 0 424.353 4.964 50 0 HJAARM CC1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2F)CC1 ZINC000022852109 557839746 /nfs/dbraw/zinc/83/97/46/557839746.db2.gz CVCOZPUTGUPQMY-QGZVFWFLSA-N -1 0 412.490 4.717 50 0 HJAARM CCc1nc2sc([C@H](c3cccc(C)c3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000022855065 557842087 /nfs/dbraw/zinc/84/20/87/557842087.db2.gz CWUAYUDHTRQKNA-FQEVSTJZSA-N -1 0 404.539 4.515 50 0 HJAARM Cc1ccccc1C(=O)NC([N-]c1ccc(Cl)cn1)(C(F)(F)F)C(F)(F)F ZINC000019944243 558314574 /nfs/dbraw/zinc/31/45/74/558314574.db2.gz IBEXUVIGKBMAKN-UHFFFAOYSA-N -1 0 411.733 4.706 50 0 HJAARM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccco4)c3[C@H]2c2ccccc2)cc1 ZINC000020855104 558417537 /nfs/dbraw/zinc/41/75/37/558417537.db2.gz LUIPEJDHEPNGQM-JOCHJYFZSA-N -1 0 413.433 4.596 50 0 HJAARM O=C([O-])c1cccc(-n2cccc2/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)c1 ZINC000015013586 558701195 /nfs/dbraw/zinc/70/11/95/558701195.db2.gz AXYQYYLBCILMJP-XDHOZWIPSA-N -1 0 422.437 4.551 50 0 HJAARM Cc1sc(NC(=O)CC2(CC(=O)[O-])CCCCC2)c(C(N)=O)c1-c1ccccc1 ZINC000028900094 558706760 /nfs/dbraw/zinc/70/67/60/558706760.db2.gz VKPNFVLQDBDXPU-UHFFFAOYSA-N -1 0 414.527 4.576 50 0 HJAARM COc1cccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)c1OC ZINC000015081530 558719167 /nfs/dbraw/zinc/71/91/67/558719167.db2.gz GPERPDKXLVXDHU-CQSZACIVSA-N -1 0 409.463 4.605 50 0 HJAARM Cc1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000015911114 558761753 /nfs/dbraw/zinc/76/17/53/558761753.db2.gz JYXOBKIAEZINRP-UHFFFAOYSA-N -1 0 422.485 4.930 50 0 HJAARM CC(C)CN1C(=O)S/C(=C\c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)C1=O ZINC000016575212 558795852 /nfs/dbraw/zinc/79/58/52/558795852.db2.gz PIVGODKYSBPDII-ODLFYWEKSA-N -1 0 411.479 4.656 50 0 HJAARM CCc1cc(C(=O)OC)c(NC(=S)Nc2cc(Cl)c([O-])c(Cl)c2)s1 ZINC000017083134 558815619 /nfs/dbraw/zinc/81/56/19/558815619.db2.gz LACFJKRSZJLKJU-UHFFFAOYSA-N -1 0 405.328 4.918 50 0 HJAARM CCOC(=O)c1c(-c2cccc(C)c2)csc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000004647125 558864150 /nfs/dbraw/zinc/86/41/50/558864150.db2.gz LEEADSBKBGVHNS-HZPDHXFCSA-N -1 0 413.495 4.506 50 0 HJAARM O=S(=O)([N-]c1cccc(CCc2nc3ccccc3[nH]2)c1)c1ccccc1Cl ZINC000033116569 558877870 /nfs/dbraw/zinc/87/78/70/558877870.db2.gz JPPPBPQXAQEHLM-UHFFFAOYSA-N -1 0 411.914 4.802 50 0 HJAARM Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000033173890 558902169 /nfs/dbraw/zinc/90/21/69/558902169.db2.gz KXBFXXRBYMZKDH-UHFFFAOYSA-N -1 0 401.435 4.575 50 0 HJAARM COc1ccccc1[N-]S(=O)(=O)c1ccccc1-c1nc(-c2ccc(C)cc2)no1 ZINC000033175645 558905168 /nfs/dbraw/zinc/90/51/68/558905168.db2.gz JZYWEHXAIURUIH-UHFFFAOYSA-N -1 0 421.478 4.521 50 0 HJAARM CCCCN(CC)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1C(=O)[O-] ZINC000033253552 558921711 /nfs/dbraw/zinc/92/17/11/558921711.db2.gz PALDRTIXXMWMDJ-UHFFFAOYSA-N -1 0 418.559 4.737 50 0 HJAARM O=C([O-])c1cccc(CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c1 ZINC000096602363 558981608 /nfs/dbraw/zinc/98/16/08/558981608.db2.gz GFQBHUOARNGAQM-UHFFFAOYSA-N -1 0 411.266 4.946 50 0 HJAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cc(-c3cc(CC)no3)cs2)c1 ZINC000033290297 559045333 /nfs/dbraw/zinc/04/53/33/559045333.db2.gz ZMODNTZCDHBVJM-UHFFFAOYSA-N -1 0 422.528 4.564 50 0 HJAARM CC[C@@](CNC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)[O-])c1ccccc1 ZINC000725240821 559067747 /nfs/dbraw/zinc/06/77/47/559067747.db2.gz GOBIVUFSZFAUIV-SANMLTNESA-N -1 0 415.489 4.958 50 0 HJAARM O=S(=O)([N-]c1cc(F)cc(F)c1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072944 559126504 /nfs/dbraw/zinc/12/65/04/559126504.db2.gz PDHUOMUYSMEQEP-UHFFFAOYSA-N -1 0 416.165 4.547 50 0 HJAARM Cc1ccc(N(C)S(=O)(=O)c2c(-c3ccccc3)csc2C(=O)[O-])cc1C ZINC000098212004 559127563 /nfs/dbraw/zinc/12/75/63/559127563.db2.gz RVZMZMRUQFDYJS-UHFFFAOYSA-N -1 0 401.509 4.555 50 0 HJAARM Cc1ccc(-c2[nH]nc3c2[C@@H](c2ccccc2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1 ZINC000004928689 559208571 /nfs/dbraw/zinc/20/85/71/559208571.db2.gz UADHLQCUBKDLGB-HSZRJFAPSA-N -1 0 409.445 4.833 50 0 HJAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cccc(F)c2)c1 ZINC000017250049 560704978 /nfs/dbraw/zinc/70/49/78/560704978.db2.gz RKDOIEBMLDPGSI-UHFFFAOYSA-N -1 0 422.485 4.930 50 0 HJAARM CCOc1ccccc1Nc1nc(-c2cc(OC)ccc2OC)c(CC(=O)[O-])s1 ZINC000004706940 560736131 /nfs/dbraw/zinc/73/61/31/560736131.db2.gz WBNVSINYAAIWFU-UHFFFAOYSA-N -1 0 414.483 4.597 50 0 HJAARM CCn1c(=O)c(-c2nc(-c3ccc(OCC(C)C)cc3)no2)c([O-])c2ccc(F)cc21 ZINC000101724767 560798422 /nfs/dbraw/zinc/79/84/22/560798422.db2.gz ISHGCRABVQLXOW-UHFFFAOYSA-N -1 0 423.444 4.618 50 0 HJAARM COc1ccc([C@H]2CC(=O)C3C(=Nc4nonc4N[C@@H]3c3ccc(F)cc3)C2)cc1 ZINC000102739430 560824841 /nfs/dbraw/zinc/82/48/41/560824841.db2.gz KPKJPAXKIZJFDQ-JLTOFOAXSA-N -1 0 406.417 4.846 50 0 HJAARM Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102750788 560825514 /nfs/dbraw/zinc/82/55/14/560825514.db2.gz AFZQLWRVIQBPGG-YPAWHYETSA-N -1 0 418.880 4.700 50 0 HJAARM O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)[O-])c(OC(=O)/C=C\c2ccccc2)c1 ZINC000210103679 560876641 /nfs/dbraw/zinc/87/66/41/560876641.db2.gz WACUVOCWCFTSCS-LTNDZONTSA-N -1 0 413.429 4.656 50 0 HJAARM CC(C)c1ccc(NC(=O)c2ccccc2NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000000627581 568456119 /nfs/dbraw/zinc/45/61/19/568456119.db2.gz KYYCBOGDJGRCEP-RTBURBONSA-N -1 0 408.498 4.892 50 0 HJAARM O=C([O-])[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000000754801 568471864 /nfs/dbraw/zinc/47/18/64/568471864.db2.gz PODMPRCLQNOLFB-XABBQPORSA-N -1 0 403.865 4.887 50 0 HJAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000021033788 568659647 /nfs/dbraw/zinc/65/96/47/568659647.db2.gz XFEYCRWMVZNORL-UHFFFAOYSA-N -1 0 404.875 4.682 50 0 HJAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)c2cccs2)s1 ZINC000021755523 568752185 /nfs/dbraw/zinc/75/21/85/568752185.db2.gz IDSBNVPYLKQZMD-UHFFFAOYSA-N -1 0 418.565 4.512 50 0 HJAARM CC(C)COc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CC(C)(C)OC3)cc1 ZINC000000993891 568760878 /nfs/dbraw/zinc/76/08/78/568760878.db2.gz VIQAAUANLKEQLL-UHFFFAOYSA-N -1 0 403.500 4.585 50 0 HJAARM O=C(Nc1ccc([N-]S(=O)(=O)c2ccccc2Cl)c(C(F)(F)F)c1)C1CC1 ZINC000012583704 568865845 /nfs/dbraw/zinc/86/58/45/568865845.db2.gz XRBFDIBTCQDHLK-UHFFFAOYSA-N -1 0 418.824 4.508 50 0 HJAARM Cc1cccc(C)c1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1 ZINC000003290069 568872830 /nfs/dbraw/zinc/87/28/30/568872830.db2.gz GYNYBQHVDIFLMJ-UHFFFAOYSA-N -1 0 404.495 4.791 50 0 HJAARM CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C)ccc2OC)cc1 ZINC000015352421 568878722 /nfs/dbraw/zinc/87/87/22/568878722.db2.gz BJJJTCPGSOKDQO-UHFFFAOYSA-N -1 0 424.522 4.619 50 0 HJAARM O=C([O-])c1ccc(NC(=O)CSc2ncnc3scc(-c4ccccc4)c32)cc1 ZINC000003342476 568884054 /nfs/dbraw/zinc/88/40/54/568884054.db2.gz GMSGDTOFAVSQFR-UHFFFAOYSA-N -1 0 421.503 4.787 50 0 HJAARM CCCCCn1c(=O)c2ccc(C(=O)NCc3cccc(Cl)c3)cc2[n-]c1=S ZINC000003630059 568920949 /nfs/dbraw/zinc/92/09/49/568920949.db2.gz FLPAHESSEKQCKD-UHFFFAOYSA-N -1 0 415.946 4.833 50 0 HJAARM CCCn1cnc2c1cc(C)c(C)c2[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000001388580 568923121 /nfs/dbraw/zinc/92/31/21/568923121.db2.gz FIANVDYHNDAMOZ-UHFFFAOYSA-N -1 0 411.449 4.883 50 0 HJAARM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1Cl ZINC000031721524 568929785 /nfs/dbraw/zinc/92/97/85/568929785.db2.gz ZNYDJTYRTZMNRU-UHFFFAOYSA-N -1 0 404.713 4.691 50 0 HJAARM Cc1cc(C)cc(C[C@@H](C(=O)Nc2ccc(C)c(Br)c2)[C@@H](C)C(=O)[O-])c1 ZINC000001423577 568938623 /nfs/dbraw/zinc/93/86/23/568938623.db2.gz PFRJJVCAIFFXBR-CRAIPNDOSA-N -1 0 418.331 4.892 50 0 HJAARM CCCc1ccc(-c2csc(NC(=O)c3c(C)nc(-c4ccco4)[n-]c3=O)n2)cc1 ZINC000012763069 568946627 /nfs/dbraw/zinc/94/66/27/568946627.db2.gz ZXVUFJSDXNDWDY-UHFFFAOYSA-N -1 0 420.494 4.667 50 0 HJAARM CC(C)c1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCCC3)cs2)cc1 ZINC000035405487 569035871 /nfs/dbraw/zinc/03/58/71/569035871.db2.gz AQOWXQJTMCTUOM-UHFFFAOYSA-N -1 0 406.573 4.689 50 0 HJAARM C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(-c4cc(C(=O)[O-])c5ccccc5n4)c3)C(=O)[C@H]2C1 ZINC000239128727 569053987 /nfs/dbraw/zinc/05/39/87/569053987.db2.gz KRHLFRKHJGTREM-CCKFTAQKSA-N -1 0 414.461 4.526 50 0 HJAARM COc1ccc(-c2cc(C(F)(F)F)c3c(n2)sc2c3[nH]c(=O)cc2[O-])cc1OC ZINC000016527332 569058583 /nfs/dbraw/zinc/05/85/83/569058583.db2.gz JPLVXZOPUDFTEA-UHFFFAOYSA-N -1 0 422.384 4.546 50 0 HJAARM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccn(Cc3ccc(Cl)cc3)n2)cc1 ZINC000006502311 569061635 /nfs/dbraw/zinc/06/16/35/569061635.db2.gz ZRPAFMCPSULNLQ-UHFFFAOYSA-N -1 0 403.935 4.683 50 0 HJAARM COc1ccc(Nc2ncccc2S(=O)(=O)[N-]c2ccc(C)cc2)cc1Cl ZINC000064757535 569091143 /nfs/dbraw/zinc/09/11/43/569091143.db2.gz UYOSEOMOCYAFJY-UHFFFAOYSA-N -1 0 403.891 4.596 50 0 HJAARM COc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)[N-]c1ccc(C)c(Cl)c1 ZINC000064837388 569105168 /nfs/dbraw/zinc/10/51/68/569105168.db2.gz VNLZQVPBBTULTF-UHFFFAOYSA-N -1 0 406.891 4.730 50 0 HJAARM O=S(=O)([N-]c1ccc(-c2noc(-c3cccc(Cl)c3)n2)cc1)c1cccs1 ZINC000065010388 569153581 /nfs/dbraw/zinc/15/35/81/569153581.db2.gz RYQWOYVZKBWOSF-UHFFFAOYSA-N -1 0 417.899 4.919 50 0 HJAARM Cc1c2occ(-c3ccc4c(c3)OCCCO4)c2cc2c(C)c(CC(=O)[O-])c(=O)oc12 ZINC000036370116 569153894 /nfs/dbraw/zinc/15/38/94/569153894.db2.gz QFCPONABCJSXAN-UHFFFAOYSA-N -1 0 420.417 4.611 50 0 biogenic HJAARM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1cccc(C(C)=O)c1 ZINC000065060271 569164094 /nfs/dbraw/zinc/16/40/94/569164094.db2.gz OXGRQMSTBCARMQ-UHFFFAOYSA-N -1 0 416.524 4.521 50 0 HJAARM COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)[N-]c1cccc2c1CCCC2 ZINC000006887745 569171293 /nfs/dbraw/zinc/17/12/93/569171293.db2.gz HXAOCJCZNGBXPT-UHFFFAOYSA-N -1 0 412.511 4.647 50 0 HJAARM CCc1nc(-c2cc(S(=O)(=O)[N-]c3cc(C)ccc3OC)c(C)s2)cs1 ZINC000065138166 569183733 /nfs/dbraw/zinc/18/37/33/569183733.db2.gz XJQHCQPOHNYSDP-UHFFFAOYSA-N -1 0 408.570 4.860 50 0 HJAARM C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1)c1ccccc1 ZINC000025782042 569286435 /nfs/dbraw/zinc/28/64/35/569286435.db2.gz GYGLOQJFXILQQP-HNNXBMFYSA-N -1 0 414.914 4.632 50 0 HJAARM CCOC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1cc(Cl)ccc1C ZINC000007615942 569295785 /nfs/dbraw/zinc/29/57/85/569295785.db2.gz NRSIBISGNHKWSF-UHFFFAOYSA-N -1 0 409.916 4.841 50 0 HJAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccccc1Cl)c1ccccc1 ZINC000002260820 569325192 /nfs/dbraw/zinc/32/51/92/569325192.db2.gz YFLNMDSORXCPQN-UHFFFAOYSA-N -1 0 410.886 4.828 50 0 HJAARM CSc1nc2c(sc3nc(C(C)C)c4c(c32)CCC4)c(SCC(=O)[O-])n1 ZINC000002409922 569396616 /nfs/dbraw/zinc/39/66/16/569396616.db2.gz XLGSKUSHIURHAU-UHFFFAOYSA-N -1 0 405.570 4.750 50 0 HJAARM Cc1ccc(CNc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(C)c2)cc1 ZINC000002418563 569397669 /nfs/dbraw/zinc/39/76/69/569397669.db2.gz SRJPFDRXSWWNQL-UHFFFAOYSA-N -1 0 418.522 4.660 50 0 HJAARM Cc1cc(COc2c(F)cc(C[C@@H](C)C(=O)[O-])cc2F)n(-c2ccc(Cl)cc2)n1 ZINC000068203223 569398968 /nfs/dbraw/zinc/39/89/68/569398968.db2.gz PAMVQOQTCKJQJK-GFCCVEGCSA-N -1 0 420.843 4.955 50 0 HJAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2csc(C)n2)ccc1OC ZINC000013358246 569411501 /nfs/dbraw/zinc/41/15/01/569411501.db2.gz DMTHWZLLQXWLDE-UHFFFAOYSA-N -1 0 424.931 4.590 50 0 HJAARM O=S(=O)(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1nc2ccccc2[n-]1 ZINC000040152109 571199783 /nfs/dbraw/zinc/19/97/83/571199783.db2.gz PCGKILHHBURGGP-UHFFFAOYSA-N -1 0 423.441 4.679 50 0 HJAARM CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1ccc(CC)cc1 ZINC000009645875 571276241 /nfs/dbraw/zinc/27/62/41/571276241.db2.gz GQSMLDMRRYMBHJ-UHFFFAOYSA-N -1 0 415.536 4.955 50 0 HJAARM CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1cccc(CC)c1 ZINC000009645878 571276289 /nfs/dbraw/zinc/27/62/89/571276289.db2.gz RIRUQEVAQXSPPN-UHFFFAOYSA-N -1 0 415.536 4.955 50 0 HJAARM O=C([O-])c1cccc(NCc2cc(Cl)ccc2OCC(=O)Nc2ccccc2)c1 ZINC000009668675 571278393 /nfs/dbraw/zinc/27/83/93/571278393.db2.gz SFBAJBQXWYFGKM-UHFFFAOYSA-N -1 0 410.857 4.668 50 0 HJAARM O=S(=O)([N-]c1ccccc1N1CCCCC1)c1c(F)cc(F)c(Cl)c1F ZINC000002647345 132256518 /nfs/dbraw/zinc/25/65/18/132256518.db2.gz SKNJPFIOKLCMEG-UHFFFAOYSA-N -1 0 404.841 4.548 50 0 HJAARM CCn1cc(-c2cc(C(F)F)c3c(C)nn(-c4ccc(C(=O)[O-])cc4)c3n2)c(C)n1 ZINC000020603710 523299220 /nfs/dbraw/zinc/29/92/20/523299220.db2.gz VIDYUULNZHTHDC-UHFFFAOYSA-N -1 0 411.412 4.557 50 0 HJAARM O=C([O-])c1cccc(N2C(=O)c3cccc4c(C(=O)c5ccccc5)ccc(c43)C2=O)c1 ZINC000000677930 557053792 /nfs/dbraw/zinc/05/37/92/557053792.db2.gz LHDXAIIHIAOPMR-UHFFFAOYSA-N -1 0 421.408 4.570 50 0 HJAARM CCCc1[n-]n(C(=O)C=Cc2cccs2)c(=O)c1Cc1c(F)cccc1Cl ZINC000001044831 557155803 /nfs/dbraw/zinc/15/58/03/557155803.db2.gz QKBNEOPKPLNGCX-BOLDSZDNSA-N -1 0 404.894 4.938 50 0 HJAARM O=C(Nc1cccc2ccccc21)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000001057352 557161878 /nfs/dbraw/zinc/16/18/78/557161878.db2.gz RQCBQLLDWQDIJK-UHFFFAOYSA-N -1 0 402.475 4.893 50 0 HJAARM O=C([O-])C[C@@H](Cc1ccccc1F)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002385801 557342960 /nfs/dbraw/zinc/34/29/60/557342960.db2.gz QGZZXPYYCHIOHR-QGZVFWFLSA-N -1 0 419.452 4.750 50 0 HJAARM Cc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccs2)cc1C ZINC000002420675 557346083 /nfs/dbraw/zinc/34/60/83/557346083.db2.gz KKRTVTKUOKKZOY-UHFFFAOYSA-N -1 0 410.524 4.853 50 0 HJAARM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)N3CCC(C)CC3)ccc2Cl)c1 ZINC000002881999 557419994 /nfs/dbraw/zinc/41/99/94/557419994.db2.gz GEDQQUDLAZRPCD-UHFFFAOYSA-N -1 0 420.962 4.630 50 0 HJAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC3CCCCC3)ccc2Cl)cc1 ZINC000003105395 557447221 /nfs/dbraw/zinc/44/72/21/557447221.db2.gz CQHZYXWRKMRCCF-UHFFFAOYSA-N -1 0 406.935 4.512 50 0 HJAARM Cc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccc4cccnc43)cc2)c1 ZINC000003635587 557495747 /nfs/dbraw/zinc/49/57/47/557495747.db2.gz JZHSPAOYTKQDQH-UHFFFAOYSA-N -1 0 417.490 4.596 50 0 HJAARM CN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2cccc(Br)c2)C1 ZINC000003885061 557502631 /nfs/dbraw/zinc/50/26/31/557502631.db2.gz SXYHJHKRCVVOER-NTEUORMPSA-N -1 0 409.283 4.682 50 0 HJAARM Cc1nn(Cc2cccc(Cl)c2)c(C)c1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000002792463 557764629 /nfs/dbraw/zinc/76/46/29/557764629.db2.gz UTBQJVCDDSOUDE-UHFFFAOYSA-N -1 0 403.935 4.619 50 0 HJAARM C[C@](Cc1ccc(F)cc1)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000008700684 557800578 /nfs/dbraw/zinc/80/05/78/557800578.db2.gz HGCDIHMFXNGCRG-RUZDIDTESA-N -1 0 419.452 4.750 50 0 HJAARM CCc1nc2sc([C@H](c3ccc(Cl)cc3Cl)N3CCCCC3)c([O-])n2n1 ZINC000022853128 557840037 /nfs/dbraw/zinc/84/00/37/557840037.db2.gz MNPNSXBOFSEHNU-HNNXBMFYSA-N -1 0 411.358 4.941 50 0 HJAARM CCc1nc2sc([C@H](c3ccc(C)cc3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000022855069 557842080 /nfs/dbraw/zinc/84/20/80/557842080.db2.gz FXLQCVWIVIACAT-FQEVSTJZSA-N -1 0 404.539 4.515 50 0 HJAARM O=S(=O)(C=C([O-])c1ccc([C@@H]2CC2(Cl)Cl)cc1)c1ccc(Cl)cc1 ZINC000019822840 558290821 /nfs/dbraw/zinc/29/08/21/558290821.db2.gz MYOFGYCHCLJEHS-HNNXBMFYSA-N -1 0 403.714 4.658 50 0 HJAARM COc1cccc([C@@H](CC(=O)c2ccccc2)c2c([O-])c3ccccc3oc2=O)c1 ZINC000019897602 558303974 /nfs/dbraw/zinc/30/39/74/558303974.db2.gz ZHRHQHWXSJKWCL-HXUWFJFHSA-N -1 0 400.430 4.912 50 0 HJAARM CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000004580597 558766724 /nfs/dbraw/zinc/76/67/24/558766724.db2.gz CBZANZBYNIJPQW-OAHLLOKOSA-N -1 0 403.887 4.899 50 0 HJAARM CC[C@@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)Nc2cccc(C)c2)C1 ZINC000017090013 558818564 /nfs/dbraw/zinc/81/85/64/558818564.db2.gz CVWAYFIIMPPVSB-CQSZACIVSA-N -1 0 414.527 4.627 50 0 HJAARM CCOC(=O)c1c(-c2cccc(C)c2)csc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000004647123 558864204 /nfs/dbraw/zinc/86/42/04/558864204.db2.gz LEEADSBKBGVHNS-CVEARBPZSA-N -1 0 413.495 4.506 50 0 HJAARM Cc1ccc(-c2[nH]nc3c2[C@H](c2ccccc2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1 ZINC000004928693 559208521 /nfs/dbraw/zinc/20/85/21/559208521.db2.gz UADHLQCUBKDLGB-QHCPKHFHSA-N -1 0 409.445 4.833 50 0 HJAARM CCCOC(=O)c1c(NC(=O)/C=C/C(=O)[O-])sc(C)c1-c1ccc(Cl)cc1 ZINC000005591251 560628153 /nfs/dbraw/zinc/62/81/53/560628153.db2.gz KWTMGHMITLCYOK-CMDGGOBGSA-N -1 0 407.875 4.523 50 0 HJAARM COc1ccc(-c2cc(C(F)(F)F)c3c(n2)sc2c3[nH]c(=O)cc2[O-])c(OC)c1 ZINC000018181671 560781731 /nfs/dbraw/zinc/78/17/31/560781731.db2.gz HPEICIGLBWLNLO-UHFFFAOYSA-N -1 0 422.384 4.546 50 0 HJAARM CC(C)CCSc1n[n-]c2nc3c(c(=O)n12)C1(CCCCC1)Cc1ccccc1-3 ZINC000101162333 560787266 /nfs/dbraw/zinc/78/72/66/560787266.db2.gz WYTJRNXISKQNOO-UHFFFAOYSA-N -1 0 408.571 4.981 50 0 HJAARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1CC(=O)Nc1ccccc1C ZINC000101831360 560802916 /nfs/dbraw/zinc/80/29/16/560802916.db2.gz GYRHMMPRJGSGIT-UHFFFAOYSA-N -1 0 418.522 4.808 50 0 HJAARM Cc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@H]2c1ccc(C(C)C)cc1 ZINC000102402277 560811219 /nfs/dbraw/zinc/81/12/19/560811219.db2.gz JNVWSCBUCGEQQL-NRFANRHFSA-N -1 0 416.481 4.551 50 0 HJAARM Cc1nc(-c2c(=O)c3ccc([O-])c(Br)c3oc2C(F)(F)F)cs1 ZINC000005753159 568418801 /nfs/dbraw/zinc/41/88/01/568418801.db2.gz SRDYSVCDNZFGKZ-UHFFFAOYSA-N -1 0 406.179 4.712 50 0 HJAARM Cc1cccc(C(=O)Nc2ccc(N3CC[C@H](c4ccccc4)C3)c(C(=O)[O-])c2)c1 ZINC000046053650 568425476 /nfs/dbraw/zinc/42/54/76/568425476.db2.gz FKPGBNVDFLCNKE-FQEVSTJZSA-N -1 0 400.478 4.939 50 0 HJAARM CCc1nc2sc([C@@H](c3ccc(Cl)cc3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000012341919 568483256 /nfs/dbraw/zinc/48/32/56/568483256.db2.gz QXTBLPDFVOHTFK-LJQANCHMSA-N -1 0 424.957 4.860 50 0 HJAARM O=C(CSc1nnc(-c2ccc(O)cc2)o1)N(c1ccccc1)c1ccccc1 ZINC000000863682 568719565 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423.519 4.658 50 0 HJAARM CSc1cccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)c1 ZINC000085664725 569006578 /nfs/dbraw/zinc/00/65/78/569006578.db2.gz NHRZGGSEWQSBNL-UHFFFAOYSA-N -1 0 419.475 4.680 50 0 HJAARM CCc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CCCC4)n3)cs2)cc1 ZINC000035557405 569044752 /nfs/dbraw/zinc/04/47/52/569044752.db2.gz DYHFQXPARUCBGY-UHFFFAOYSA-N -1 0 403.529 4.819 50 0 HJAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(-c2noc(C3CCCC3)n2)cs1 ZINC000035557592 569044825 /nfs/dbraw/zinc/04/48/25/569044825.db2.gz SZNWFQYQAJEKLO-UHFFFAOYSA-N -1 0 419.528 4.574 50 0 HJAARM O=C([O-])[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)Oc2cccc3ccccc32)[C@H]1c1ccccc1 ZINC000239165291 569054006 /nfs/dbraw/zinc/05/40/06/569054006.db2.gz NVOKBONTLOAJKA-POYMRFPPSA-N -1 0 422.480 5.643 50 0 HJAARM O=S(=O)([N-]c1ccc(F)cc1)c1cccnc1Nc1ccc(Br)cc1 ZINC000064757642 569091137 /nfs/dbraw/zinc/09/11/37/569091137.db2.gz VZJZMESEGCRKGR-UHFFFAOYSA-N -1 0 422.279 4.528 50 0 HJAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2ccc(F)c(F)c2)CC(=O)N3)cc1 ZINC000064797254 569096489 /nfs/dbraw/zinc/09/64/89/569096489.db2.gz BZLASNZBZULLTK-CYBMUJFWSA-N -1 0 415.417 4.874 50 0 HJAARM C[C@@H]1CCCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccc(Br)cc2)C1 ZINC000064820705 569102670 /nfs/dbraw/zinc/10/26/70/569102670.db2.gz JMPTWKQHLUYFEA-CYBMUJFWSA-N -1 0 417.303 4.636 50 0 HJAARM O=C([O-])CSc1c2ccc(C(=O)Nc3ccc(F)cc3)cc2nc2c1CCCC2 ZINC000006736937 569104640 /nfs/dbraw/zinc/10/46/40/569104640.db2.gz UHGJWTURLFFBPY-UHFFFAOYSA-N -1 0 410.470 4.682 50 0 HJAARM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2nnc(C3CCC3)o2)s1 ZINC000064920421 569121173 /nfs/dbraw/zinc/12/11/73/569121173.db2.gz UWPJXAXVQIAIDF-UHFFFAOYSA-N -1 0 409.920 4.828 50 0 HJAARM O=S(=O)([N-]c1cccc(F)c1)c1cc(-c2nc(-c3cccc(F)c3)no2)cs1 ZINC000065098055 569176888 /nfs/dbraw/zinc/17/68/88/569176888.db2.gz RPGAUIBTJFYDPP-UHFFFAOYSA-N -1 0 419.434 4.544 50 0 HJAARM Cc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(-c3cccc(F)c3)no2)cs1 ZINC000065098072 569177015 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/nfs/dbraw/zinc/50/15/81/557501581.db2.gz WJGWGNCAMCGDBK-HUUCEWRRSA-N -1 0 415.511 4.648 50 0 HJAARM Cc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1NC(=O)c1ccc(Cl)cc1 ZINC000004821099 557602879 /nfs/dbraw/zinc/60/28/79/557602879.db2.gz ZOISKPLTSQOPMV-QZTJIDSGSA-N -1 0 414.889 4.730 50 0 HJAARM O=C(Sc1[n-]c(-c2ccccc2)nc1S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000006198907 557693728 /nfs/dbraw/zinc/69/37/28/557693728.db2.gz HVNBQUQHTULVQZ-UHFFFAOYSA-N -1 0 420.515 4.842 50 0 HJAARM COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000008444945 557790117 /nfs/dbraw/zinc/79/01/17/557790117.db2.gz YZGSTEFWUADWRR-KBPBESRZSA-N -1 0 421.902 4.685 50 0 HJAARM [O-]c1c([C@@H](c2ccccc2Cl)N2CCCCC2)sc2nc(-c3ccco3)nn12 ZINC000022851835 557839570 /nfs/dbraw/zinc/83/95/70/557839570.db2.gz IETRHWAFRQTCNZ-MRXNPFEDSA-N -1 0 414.918 4.985 50 0 HJAARM COc1ccc(-c2[nH]nc3nc(-c4ccc(OC(F)F)cc4)cc(C(=O)[O-])c32)cc1 ZINC000020134902 558337560 /nfs/dbraw/zinc/33/75/60/558337560.db2.gz QYRSTLMPYAKESS-UHFFFAOYSA-N -1 0 411.364 4.600 50 0 HJAARM CCc1ccc(-c2[nH]nc3nc(-c4ccc(OC)cc4OC)cc(C(=O)[O-])c32)cc1 ZINC000020492329 558378540 /nfs/dbraw/zinc/37/85/40/558378540.db2.gz YSIMWCCYVPWBRF-UHFFFAOYSA-N -1 0 403.438 4.570 50 0 HJAARM O=C1N(C2CCCC2)C(c2ccccc2)=N[C@]1([N-]c1ccc(Cl)cn1)C(F)(F)F ZINC000020623202 558394375 /nfs/dbraw/zinc/39/43/75/558394375.db2.gz NYEHFQMQEZRNCP-IBGZPJMESA-N -1 0 422.838 4.637 50 0 HJAARM CCCCOc1c(Br)c(Br)c(/C=C/C(=O)[O-])cc1OCC ZINC000022077322 558462815 /nfs/dbraw/zinc/46/28/15/558462815.db2.gz AHIYCLDFKPFTDE-VOTSOKGWSA-N -1 0 422.113 4.887 50 0 HJAARM CCCCc1c([O-])nc(SCC(=O)c2ccccc2)n(-c2ccccc2C)c1=O ZINC000013773808 558592166 /nfs/dbraw/zinc/59/21/66/558592166.db2.gz BMFRFZMISHVQEX-UHFFFAOYSA-N -1 0 408.523 4.564 50 0 HJAARM COc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)cc1OC ZINC000015081444 558719179 /nfs/dbraw/zinc/71/91/79/558719179.db2.gz IOMIPAVIYYEXFK-CQSZACIVSA-N -1 0 409.463 4.605 50 0 HJAARM CC(C)c1ccccc1NC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000029864617 558722897 /nfs/dbraw/zinc/72/28/97/558722897.db2.gz UNCDVRFUAOKLTO-UHFFFAOYSA-N -1 0 414.552 4.854 50 0 HJAARM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cnn(Cc3ccc(Cl)cc3)c2)cc1 ZINC000017082778 558815142 /nfs/dbraw/zinc/81/51/42/558815142.db2.gz ADFUWVNUKKVHGO-HNNXBMFYSA-N -1 0 403.935 4.899 50 0 HJAARM CCc1c(C)sc(NC(=O)CCCC(=O)[O-])c1C(=O)Nc1ccc(Cl)cc1 ZINC000017088134 558817026 /nfs/dbraw/zinc/81/70/26/558817026.db2.gz RIHGUIHJANWKQE-UHFFFAOYSA-N -1 0 408.907 4.718 50 0 HJAARM C[C@@H]1CCc2c(sc3[nH]c(=S)n(-c4cc(Cl)c([O-])c(Cl)c4)c(=O)c32)C1 ZINC000017089500 558818192 /nfs/dbraw/zinc/81/81/92/558818192.db2.gz XIOSJCCYWGFQAB-SSDOTTSWSA-N -1 0 413.351 4.873 50 0 HJAARM CCc1c(C)sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1C(=O)Nc1ccccc1 ZINC000017090002 558818531 /nfs/dbraw/zinc/81/85/31/558818531.db2.gz UBECMZUKCDZGFT-IRXDYDNUSA-N -1 0 414.527 4.701 50 0 HJAARM CCc1c(C)sc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1C(=O)NC1CCCCC1 ZINC000017092395 558820811 /nfs/dbraw/zinc/82/08/11/558820811.db2.gz DUDOEVGSSAZMIO-IAGOWNOFSA-N -1 0 420.575 4.511 50 0 HJAARM CC(C)n1c(/C=C/[C@H](O)C[C@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c2ccccc21 ZINC000001530639 558852081 /nfs/dbraw/zinc/85/20/81/558852081.db2.gz FJLGEFLZQAZZCD-JUFISIKESA-N -1 0 411.473 4.628 50 0 fda HJAARM Cc1cc(C)cc(C[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)[C@@H](C)C(=O)[O-])c1 ZINC000004689645 558899362 /nfs/dbraw/zinc/89/93/62/558899362.db2.gz LCZLECYRVQXITQ-RDTXWAMCSA-N -1 0 409.404 4.720 50 0 HJAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3nc(C)c(C)s3)sc2C)c(OC)c1 ZINC000033169462 558902743 /nfs/dbraw/zinc/90/27/43/558902743.db2.gz YSNVRMSHFOABGY-UHFFFAOYSA-N -1 0 424.569 4.615 50 0 HJAARM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)o1 ZINC000033263879 558961437 /nfs/dbraw/zinc/96/14/37/558961437.db2.gz JKSWTLSHWVRNFD-UHFFFAOYSA-N -1 0 406.769 4.716 50 0 HJAARM CCOc1ccc(/C=C2/CN(CC)Cc3c2nc2ccccc2c3C(=O)[O-])cc1OC ZINC000097993215 559011287 /nfs/dbraw/zinc/01/12/87/559011287.db2.gz DAHMRJQFFHIZQV-ATVHPVEESA-N -1 0 418.493 4.716 50 0 HJAARM CCCc1oc2cc(C)c([N-]S(=O)(=O)c3cccs3)cc2c1C(=O)OCC ZINC000004735746 559034701 /nfs/dbraw/zinc/03/47/01/559034701.db2.gz SURWVWMWORMPLA-UHFFFAOYSA-N -1 0 407.513 4.733 50 0 HJAARM Cc1cccc([N-]S(=O)(=O)c2ccccc2-c2nc(-c3ccc(F)cc3)no2)c1 ZINC000033307146 559052043 /nfs/dbraw/zinc/05/20/43/559052043.db2.gz FMRAXKHESBOILX-UHFFFAOYSA-N -1 0 409.442 4.652 50 0 HJAARM CC[C@H](C)[C@@H]1SC[C@@H](C(=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240461 559056325 /nfs/dbraw/zinc/05/63/25/559056325.db2.gz HRIYWBAEXOUWJP-WVFSVQOHSA-N -1 0 411.523 4.810 50 0 HJAARM CC[C@](CNC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)[O-])c1ccccc1 ZINC000725240820 559067734 /nfs/dbraw/zinc/06/77/34/559067734.db2.gz GOBIVUFSZFAUIV-AREMUKBSSA-N -1 0 415.489 4.958 50 0 HJAARM Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)[N-]c1ccc(C)c(Cl)c1 ZINC000035539416 559187345 /nfs/dbraw/zinc/18/73/45/559187345.db2.gz RGSZXSAZURAAOB-UHFFFAOYSA-N -1 0 409.920 4.747 50 0 HJAARM O=S(=O)(c1[n-]c(-c2ccccc2)nc1SCc1ccncc1)c1ccccc1 ZINC000011694972 559188545 /nfs/dbraw/zinc/18/85/45/559188545.db2.gz CWFLJLFHGXCTSO-UHFFFAOYSA-N -1 0 407.520 4.597 50 0 HJAARM O=C([O-])CCC(=O)N1N=C2/C(=C\c3cccs3)CCC[C@@H]2[C@@H]1c1cccs1 ZINC000033573712 559213856 /nfs/dbraw/zinc/21/38/56/559213856.db2.gz OFSWBVKSEHHYTE-AISCIVHFSA-N -1 0 400.525 4.797 50 0 HJAARM CCc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccs2)c1 ZINC000005017282 559228559 /nfs/dbraw/zinc/22/85/59/559228559.db2.gz FCSUPVCLQTXXFL-UHFFFAOYSA-N -1 0 410.524 4.798 50 0 HJAARM COc1cccc(-c2nc3ccccc3c(Oc3ccc(NC(C)=O)cc3)n2)c1[O-] ZINC000005561834 560618349 /nfs/dbraw/zinc/61/83/49/560618349.db2.gz SBQAERHXUARBCF-UHFFFAOYSA-N -1 0 401.422 4.762 50 0 HJAARM O=S(=O)([N-]c1nc2ccccc2nc1NC1CCCCC1)c1cccc(Cl)c1 ZINC000017207169 560703991 /nfs/dbraw/zinc/70/39/91/560703991.db2.gz YPHISSURNNBYKG-UHFFFAOYSA-N -1 0 416.934 4.829 50 0 HJAARM Cc1nc(CCCNC(=O)OCC2c3ccccc3-c3ccccc32)sc1C(=O)[O-] ZINC000309575809 560770553 /nfs/dbraw/zinc/77/05/53/560770553.db2.gz KMTABVSTVHQKOU-UHFFFAOYSA-N -1 0 422.506 4.621 50 0 HJAARM O=c1c2c(nc3[n-]nc(SCc4ccccc4)n31)-c1ccccc1CC21CCCC1 ZINC000101163353 560787228 /nfs/dbraw/zinc/78/72/28/560787228.db2.gz XLYVLTDCBMPXQM-UHFFFAOYSA-N -1 0 414.534 4.745 50 0 HJAARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1CC(=O)Nc1ccc(C)cc1 ZINC000101831356 560802888 /nfs/dbraw/zinc/80/28/88/560802888.db2.gz ZKBKGQGSGPKYRJ-UHFFFAOYSA-N -1 0 418.522 4.808 50 0 HJAARM O=c1oc2ccccc2c([O-])c1[C@H]1c2ccccc2Nc2c3ccccc3oc(=O)c21 ZINC000102787397 560827606 /nfs/dbraw/zinc/82/76/06/560827606.db2.gz XVTXSOLTHWFLTE-IBGZPJMESA-N -1 0 409.397 4.842 50 0 HJAARM CCC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=C/C(=N\OCC(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000005710993 560828982 /nfs/dbraw/zinc/82/89/82/560828982.db2.gz ZXQPFGVRKHFTFV-FDXBNDETSA-N -1 0 417.546 4.728 50 0 biogenic HJAARM O=S(=O)([N-]c1ccc(-c2noc(-c3ccc(F)c(F)c3)n2)cc1)c1cccs1 ZINC000065010384 560842338 /nfs/dbraw/zinc/84/23/38/560842338.db2.gz QETMTLFOIGYBNA-UHFFFAOYSA-N -1 0 419.434 4.544 50 0 HJAARM O=c1c2c(nc3[n-]ncn31)nc1c(c2-c2ccccc2)CCC/C1=C/c1ccccc1 ZINC000103635189 560844006 /nfs/dbraw/zinc/84/40/06/560844006.db2.gz IKRHPFHQZQWRQK-JXAWBTAJSA-N -1 0 405.461 4.510 50 0 HJAARM Cc1ccc(-n2nc3c4cc(C(=O)N[C@H](C)c5ccccc5)ccc4[nH]cc-3c2=O)cc1 ZINC000101281893 560851669 /nfs/dbraw/zinc/85/16/69/560851669.db2.gz IUHOFVWUTXUWMY-QGZVFWFLSA-N -1 0 422.488 4.618 50 0 HJAARM O=S(=O)([N-]c1ccc(OC(F)F)c(Cl)c1)c1ccc(Br)s1 ZINC000016151642 560859784 /nfs/dbraw/zinc/85/97/84/560859784.db2.gz CWOZEDGSZJAMDU-UHFFFAOYSA-N -1 0 418.668 4.566 50 0 HJAARM COc1ccc(C(=O)Nc2ccc(N3CC[C@H](c4ccccc4)C3)c(C(=O)[O-])c2)cc1 ZINC000046053656 568425489 /nfs/dbraw/zinc/42/54/89/568425489.db2.gz FPKKMUHFPXFJJA-IBGZPJMESA-N -1 0 416.477 4.640 50 0 HJAARM Cc1cc(C)nc([N-]c2nc(C(=O)Nc3nc4ccc(Cl)cc4s3)cs2)n1 ZINC000049032303 568445867 /nfs/dbraw/zinc/44/58/67/568445867.db2.gz DSPNWVHSEPBABL-UHFFFAOYSA-N -1 0 416.919 4.809 50 0 HJAARM CC(C)(C)n1ncc2c1NC(=O)C[C@H]2c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000049549393 568451837 /nfs/dbraw/zinc/45/18/37/568451837.db2.gz RFEHVYRMBICXCB-GFCCVEGCSA-N -1 0 413.861 4.724 50 0 HJAARM CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C=Cc1ccc(C(C)(C)C)cc1 ZINC000024829211 568469704 /nfs/dbraw/zinc/46/97/04/568469704.db2.gz UIQPRSJCCJFFOM-DHZHZOJOSA-N -1 0 409.555 4.734 50 0 HJAARM O=C([O-])c1cc(-c2ccccc2Br)nc2n[nH]c(-c3ccc(F)cc3)c21 ZINC000020492123 568614964 /nfs/dbraw/zinc/61/49/64/568614964.db2.gz SBCQOOUZLJPKRA-UHFFFAOYSA-N -1 0 412.218 4.892 50 0 HJAARM COc1ccc(CNC(=O)[C@H]2CCCC[C@@H]2c2nc3ccccc3s2)cc1C(=O)[O-] ZINC000225482429 568641732 /nfs/dbraw/zinc/64/17/32/568641732.db2.gz DVYJDRKRDFVGBI-HOTGVXAUSA-N -1 0 424.522 4.593 50 0 HJAARM Cc1n[nH]c(SC(=Cc2ccc(-c3ccc(C)cc3Br)o2)C(=O)[O-])n1 ZINC000033738041 568697768 /nfs/dbraw/zinc/69/77/68/568697768.db2.gz GXTOLERPGWXBFN-NVNXTCNLSA-N -1 0 420.288 4.662 50 0 HJAARM CCc1ccccc1[N-]S(=O)(=O)c1c(-c2ccc(C)cc2)csc1C(=O)OC ZINC000012414317 568717058 /nfs/dbraw/zinc/71/70/58/568717058.db2.gz FMTMMGHHOOHLCS-UHFFFAOYSA-N -1 0 415.536 4.873 50 0 HJAARM CC(C)Cn1c2ccc(C(=O)[O-])cc2nc1[C@@H](C)NC(=S)Nc1ccccc1F ZINC000096289633 568720104 /nfs/dbraw/zinc/72/01/04/568720104.db2.gz GEGRHPXWDLIISO-CYBMUJFWSA-N -1 0 414.506 4.577 50 0 HJAARM Cc1cc(NC(=O)c2ccccc2)c(C(C)C)c(S(=O)(=O)c2ccccc2)c1[O-] ZINC000000973931 568759291 /nfs/dbraw/zinc/75/92/91/568759291.db2.gz QZPVFTBDOHDDPU-UHFFFAOYSA-N -1 0 409.507 4.909 50 0 HJAARM COc1ccc(NC(=O)C2CCC(Cn3c(=O)c4ccccc4[n-]c3=S)CC2)cc1 ZINC000002971113 568831923 /nfs/dbraw/zinc/83/19/23/568831923.db2.gz XIWVJIKYFAWPLI-UHFFFAOYSA-N -1 0 423.538 4.513 50 0 HJAARM CCCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000005952042 568832023 /nfs/dbraw/zinc/83/20/23/568832023.db2.gz IQTMGHYLVSRKQO-HOTGVXAUSA-N -1 0 415.511 4.811 50 0 HJAARM CC(C)CCNC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(Cl)cc1)c2=O ZINC000003043804 568848460 /nfs/dbraw/zinc/84/84/60/568848460.db2.gz UZMJCJACEKGDCL-UHFFFAOYSA-N -1 0 415.946 4.537 50 0 HJAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1c(Cl)cccc1Cl)O[C@H](C)C2 ZINC000012605511 568871055 /nfs/dbraw/zinc/87/10/55/568871055.db2.gz MNVONVDIASTCLT-SNVBAGLBSA-N -1 0 402.299 4.516 50 0 HJAARM Cc1cc(C)cc(C[C@@H](CC(=O)[O-])C(=O)Nc2ccc(C)c(Br)c2)c1 ZINC000001423574 568938721 /nfs/dbraw/zinc/93/87/21/568938721.db2.gz HLOKLEFBNPCIPD-INIZCTEOSA-N -1 0 404.304 4.646 50 0 HJAARM Cc1c(Cl)cccc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006146537 569014480 /nfs/dbraw/zinc/01/44/80/569014480.db2.gz NMALVDGYLISWPL-UHFFFAOYSA-N -1 0 418.877 4.841 50 0 HJAARM O=C(Nc1ccccc1Cl)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006147016 569014560 /nfs/dbraw/zinc/01/45/60/569014560.db2.gz AFBMVETWDQYBKG-UHFFFAOYSA-N -1 0 404.850 4.532 50 0 HJAARM Cc1ccc(-n2nc3c4cc(C(=O)Nc5ccc(F)cc5)ccc4[n-]cc-3c2=O)cc1 ZINC000101828199 569024428 /nfs/dbraw/zinc/02/44/28/569024428.db2.gz IUYUYHWEGICNLE-UHFFFAOYSA-N -1 0 412.424 4.518 50 0 HJAARM O=C1CCCN1c1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1Cl ZINC000012936920 569027349 /nfs/dbraw/zinc/02/73/49/569027349.db2.gz YAVQETMSNWPTEL-UHFFFAOYSA-N -1 0 419.717 4.574 50 0 HJAARM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(-c2noc(C3CCC3)n2)cs1 ZINC000035557189 569044791 /nfs/dbraw/zinc/04/47/91/569044791.db2.gz PFDMPWKVYXQXQY-UHFFFAOYSA-N -1 0 409.920 4.828 50 0 HJAARM Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(-c2noc(C3CCCC3)n2)cs1 ZINC000035557584 569044833 /nfs/dbraw/zinc/04/48/33/569044833.db2.gz DAQVTCGDJHCHCT-UHFFFAOYSA-N -1 0 407.492 4.704 50 0 HJAARM Cc1nn(Cc2cccc(F)c2)c(C)c1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000006502345 569061640 /nfs/dbraw/zinc/06/16/40/569061640.db2.gz ACWVVCKYMLNDIR-UHFFFAOYSA-N -1 0 415.534 4.786 50 0 HJAARM O=C([O-])c1cc(N2CCC(Cc3ccccc3)CC2)ccc1NC(=O)C1CCCC1 ZINC000064589244 569068957 /nfs/dbraw/zinc/06/89/57/569068957.db2.gz YPPPTXOVUYHLDE-UHFFFAOYSA-N -1 0 406.526 4.973 50 0 HJAARM Cc1cc(C=NNC(=O)c2cc3ccccc3o2)c(C)n1-c1cccc(C(=O)[O-])c1C ZINC000013108517 569069733 /nfs/dbraw/zinc/06/97/33/569069733.db2.gz RCYSCGAQOWEWDJ-UHFFFAOYSA-N -1 0 415.449 4.611 50 0 HJAARM Cc1nn(C[C@@H](C)c2n[n-]c(=S)n2-c2cc(C)ccc2C)c(C)c1Br ZINC000006627144 569075982 /nfs/dbraw/zinc/07/59/82/569075982.db2.gz DWRBYNFLOQQTSN-GFCCVEGCSA-N -1 0 420.380 4.926 50 0 HJAARM Cc1nc2sc([C@@H](c3ccc(Cl)c(Cl)c3)N3CCC[C@H](C)C3)c([O-])n2n1 ZINC000036066076 569085737 /nfs/dbraw/zinc/08/57/37/569085737.db2.gz OPVYREZVZZSPSR-ZUZCIYMTSA-N -1 0 411.358 4.933 50 0 HJAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cccc(-c2nc(-c3ccccc3)no2)c1 ZINC000064747777 569089139 /nfs/dbraw/zinc/08/91/39/569089139.db2.gz NTKJUAQFFDUXKH-UHFFFAOYSA-N -1 0 421.478 4.521 50 0 HJAARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)s2)c1C ZINC000065031206 569157356 /nfs/dbraw/zinc/15/73/56/569157356.db2.gz QWUAUUSKFHQSET-UHFFFAOYSA-N -1 0 402.419 4.840 50 0 HJAARM COC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1cccc(C)c1C ZINC000006913976 569179827 /nfs/dbraw/zinc/17/98/27/569179827.db2.gz QUNLVGIQQCSWKU-UHFFFAOYSA-N -1 0 401.509 4.619 50 0 HJAARM Cc1cc([O-])c(C2=Nc3ccccc3N[C@@H](c3c[nH]nc3-c3ccccc3)C2)c(=O)o1 ZINC000036621420 569212091 /nfs/dbraw/zinc/21/20/91/569212091.db2.gz IHKOTDKKFPYQJB-LJQANCHMSA-N -1 0 412.449 4.722 50 0 HJAARM C/C(=C\C(=O)Nc1ccc(SCC(=O)Nc2ccc3ccccc3c2)cc1)C(=O)[O-] ZINC000013579146 569256365 /nfs/dbraw/zinc/25/63/65/569256365.db2.gz KDRUOLCRHXEOJY-NTCAYCPXSA-N -1 0 420.490 4.540 50 0 HJAARM O=C([O-])c1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)cc1 ZINC000089780876 569264123 /nfs/dbraw/zinc/26/41/23/569264123.db2.gz VRAYFZFANWVBOU-UHFFFAOYSA-N -1 0 415.371 4.719 50 0 HJAARM Cc1c(Cl)cccc1NC(=O)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O ZINC000016839916 569264372 /nfs/dbraw/zinc/26/43/72/569264372.db2.gz IXNPSVYQWAQEBC-UHFFFAOYSA-N -1 0 404.853 4.910 50 0 HJAARM Cc1c2ccc(OCc3ccc(F)cc3Cl)c(C)c2oc(=O)c1CCC(=O)[O-] ZINC000002149116 569289853 /nfs/dbraw/zinc/28/98/53/569289853.db2.gz OMRCSNLSOOQENQ-UHFFFAOYSA-N -1 0 404.821 4.799 50 0 biogenic HJAARM Cc1ccc(CNc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002372455 569389110 /nfs/dbraw/zinc/38/91/10/569389110.db2.gz SJQUYURPIXSADO-UHFFFAOYSA-N -1 0 418.522 4.660 50 0 HJAARM CCCCCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000002397932 569394624 /nfs/dbraw/zinc/39/46/24/569394624.db2.gz SEFINMAPVGSJIH-UHFFFAOYSA-N -1 0 402.495 4.562 50 0 HJAARM O=C(Nc1ccccc1)Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000013349268 569411007 /nfs/dbraw/zinc/41/10/07/569411007.db2.gz MZUVRTFPFFONKI-UHFFFAOYSA-N -1 0 424.507 4.741 50 0 HJAARM O=C([O-])c1ccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000040013561 571138762 /nfs/dbraw/zinc/13/87/62/571138762.db2.gz JQSMIXVRXHQPEK-NTEUORMPSA-N -1 0 420.277 4.879 50 0 HJAARM O=C(c1ccc([N-]S(=O)(=O)c2cccs2)cc1)N1CCC[C@H]1c1ccsc1 ZINC000040110433 571168779 /nfs/dbraw/zinc/16/87/79/571168779.db2.gz UBCGQDDADBYCDR-KRWDZBQOSA-N -1 0 418.565 4.588 50 0 HJAARM Cc1ccc(-c2c([C@@H]3c4ccccc4C(=O)N3CC(=O)[O-])c3ccccc3n2C)cc1 ZINC000009190739 571235440 /nfs/dbraw/zinc/23/54/40/571235440.db2.gz KMZVWRUKDSQUCI-VWLOTQADSA-N -1 0 410.473 4.784 50 0 HJAARM O=C([O-])COc1ccc(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)cc1 ZINC000009235701 571240018 /nfs/dbraw/zinc/24/00/18/571240018.db2.gz DFYFYADHWLIGBF-UDWIEESQSA-N -1 0 419.458 4.540 50 0 HJAARM Cc1c([N-]S(=O)(=O)c2cc(F)ccc2F)cccc1-c1nc2cccnc2s1 ZINC000009403975 571255142 /nfs/dbraw/zinc/25/51/42/571255142.db2.gz LIPUYLDDXVSQLN-UHFFFAOYSA-N -1 0 417.462 4.746 50 0 HJAARM Cc1ccc(-c2nc3cccnc3s2)cc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000009403999 571255149 /nfs/dbraw/zinc/25/51/49/571255149.db2.gz UPBPFBITDLCTJX-UHFFFAOYSA-N -1 0 417.462 4.746 50 0 HJAARM COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1ccc(C)c(Cl)c1 ZINC000009646434 571276445 /nfs/dbraw/zinc/27/64/45/571276445.db2.gz HAQVWPKSRRDXER-UHFFFAOYSA-N -1 0 413.879 4.590 50 0 HJAARM Cc1cc(C)cc(C[C@H](C(=O)[O-])[C@H](C)C(=O)Nc2ccc(C)c(Br)c2)c1 ZINC000071405986 571293909 /nfs/dbraw/zinc/29/39/09/571293909.db2.gz CEMHFLMOVGIPSW-YJBOKZPZSA-N -1 0 418.331 4.892 50 0 HJAARM CC[C@@H](C)[C@H](NC(=O)c1sc(-c2c(Cl)cccc2Cl)nc1C)C(=O)[O-] ZINC000040285325 522382884 /nfs/dbraw/zinc/38/28/84/522382884.db2.gz XXMCJZKVYVTFMI-OQPBUACISA-N -1 0 401.315 4.654 50 0 HJAARM COC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1cccs1)c1ccccc21 ZINC000000645706 557035212 /nfs/dbraw/zinc/03/52/12/557035212.db2.gz PBTTZAPOVASIAV-UHFFFAOYSA-N -1 0 401.465 4.543 50 0 HJAARM Cc1nc2sc([C@@H](c3ccccc3Cl)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000022627439 557112933 /nfs/dbraw/zinc/11/29/33/557112933.db2.gz QNGNXPGDEMBUJW-GOSISDBHSA-N -1 0 410.930 4.606 50 0 HJAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000000983998 557131527 /nfs/dbraw/zinc/13/15/27/557131527.db2.gz IPSXFZCPJRNECN-UHFFFAOYSA-N -1 0 400.887 4.702 50 0 HJAARM CSc1nc2ccc([N-]S(=O)(=O)c3ccccc3C(F)(F)F)cc2s1 ZINC000001039279 557152339 /nfs/dbraw/zinc/15/23/39/557152339.db2.gz DPYSVOLPHFJOPX-UHFFFAOYSA-N -1 0 404.460 4.838 50 0 HJAARM O=c1oc2ccc([N-]S(=O)(=O)c3cc(Cl)c(Cl)cc3Cl)cc2s1 ZINC000001133468 557199931 /nfs/dbraw/zinc/19/99/31/557199931.db2.gz MMGFAVQAKYIHOO-UHFFFAOYSA-N -1 0 410.687 4.616 50 0 HJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccccc2F)cc1 ZINC000002275194 557333576 /nfs/dbraw/zinc/33/35/76/557333576.db2.gz DFPDFUNQXMIZKG-UHFFFAOYSA-N -1 0 408.458 4.622 50 0 HJAARM O=S(=O)([N-]c1ccc(OCc2ccccc2)cc1)c1ccc(Br)s1 ZINC000002843757 557402171 /nfs/dbraw/zinc/40/21/71/557402171.db2.gz GAOKQAGSMMYKID-UHFFFAOYSA-N -1 0 424.341 4.890 50 0 HJAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)c1 ZINC000002853881 557406289 /nfs/dbraw/zinc/40/62/89/557406289.db2.gz MODNQVXVDVNILW-UHFFFAOYSA-N -1 0 401.509 4.656 50 0 HJAARM CCCOc1cccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)[O-])cc2)c1 ZINC000003669112 557497802 /nfs/dbraw/zinc/49/78/02/557497802.db2.gz WRINENMYQHGFPV-UHFFFAOYSA-N -1 0 418.449 4.678 50 0 HJAARM CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000003864260 557501567 /nfs/dbraw/zinc/50/15/67/557501567.db2.gz ANRGOALEWVPWRX-CVEARBPZSA-N -1 0 415.511 4.730 50 0 HJAARM CC(C)OC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000003864274 557501633 /nfs/dbraw/zinc/50/16/33/557501633.db2.gz IDLBJAWSPQZDTF-HZPDHXFCSA-N -1 0 415.511 4.810 50 0 HJAARM CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000004179874 557525642 /nfs/dbraw/zinc/52/56/42/557525642.db2.gz RJFSKMAIQNEYCC-GJZGRUSLSA-N -1 0 419.474 4.560 50 0 HJAARM Cc1cccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])c1 ZINC000004208804 557528893 /nfs/dbraw/zinc/52/88/93/557528893.db2.gz NJXPSSISZLAXRE-HSZRJFAPSA-N -1 0 401.462 4.529 50 0 HJAARM O=C([N-]S(=O)(=O)c1ccccc1)Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004481512 557558522 /nfs/dbraw/zinc/55/85/22/557558522.db2.gz DPVZESXNFMTYAL-UHFFFAOYSA-N -1 0 411.523 4.632 50 0 HJAARM Cc1c([O-])c([S@](=O)c2ccccc2)c(=O)n(-c2ccccc2)c1-c1ccccc1 ZINC000006666676 557712956 /nfs/dbraw/zinc/71/29/56/557712956.db2.gz JOSQZNPXPNWJNC-LJAQVGFWSA-N -1 0 401.487 4.685 50 0 HJAARM O=C([O-])CSCC(=O)NCc1c(Cl)cccc1Sc1ccc(Cl)cc1 ZINC000008618305 557797207 /nfs/dbraw/zinc/79/72/07/557797207.db2.gz WDOBHJHDLBOONC-UHFFFAOYSA-N -1 0 416.351 4.579 50 0 HJAARM CCOc1ccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(CC)cc3)n2)cc1OC ZINC000020492361 558378483 /nfs/dbraw/zinc/37/84/83/558378483.db2.gz RQZFKYCNJYLDIB-UHFFFAOYSA-N -1 0 417.465 4.960 50 0 HJAARM O=c1[n-]c(=S)n(-c2cccc(Cl)c2)c2c1CN(Cc1ccccc1Cl)CN2 ZINC000020495093 558380146 /nfs/dbraw/zinc/38/01/46/558380146.db2.gz BUQRDLBFQGHXHJ-UHFFFAOYSA-N -1 0 419.337 4.587 50 0 HJAARM O=C([O-])c1cc(Oc2ncccn2)ccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000012358153 558386911 /nfs/dbraw/zinc/38/69/11/558386911.db2.gz VNDRRWBKNSHALL-UHFFFAOYSA-N -1 0 404.209 4.526 50 0 in-vivo HJAARM O=C1N(C2CCCC2)C(c2ccccc2)=N[C@@]1([N-]c1ccc(Cl)cn1)C(F)(F)F ZINC000020623205 558394348 /nfs/dbraw/zinc/39/43/48/558394348.db2.gz NYEHFQMQEZRNCP-LJQANCHMSA-N -1 0 422.838 4.637 50 0 HJAARM O=C([O-])c1ccc(CNC(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)cc1 ZINC000020734744 558407443 /nfs/dbraw/zinc/40/74/43/558407443.db2.gz HYBNKTIXWZOCPM-UHFFFAOYSA-N -1 0 421.305 4.674 50 0 HJAARM Cc1nnsc1C(=O)[N-]c1c2ccccc2oc1C(=O)Nc1ccc(Cl)cc1 ZINC000020894200 558419893 /nfs/dbraw/zinc/41/98/93/558419893.db2.gz QYKSPVHWDHCTIO-UHFFFAOYSA-N -1 0 412.858 4.751 50 0 HJAARM O=C([O-])c1ccc(-n2nnnc2S[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000015837690 558756172 /nfs/dbraw/zinc/75/61/72/558756172.db2.gz TYLRTAGNUMITMV-LJQANCHMSA-N -1 0 422.897 4.896 50 0 HJAARM Cc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000015911167 558761742 /nfs/dbraw/zinc/76/17/42/558761742.db2.gz HVPPCTMOMVRHDU-UHFFFAOYSA-N -1 0 422.485 4.930 50 0 HJAARM O=C([O-])[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000033369278 558768114 /nfs/dbraw/zinc/76/81/14/558768114.db2.gz YABZSVAQRSIEAZ-KOSHJBKYSA-N -1 0 413.473 4.878 50 0 HJAARM COc1ccc([C@H]2CC(c3ccccc3)=NN2c2ccccc2)c(C(=O)[O-])c1OC ZINC000005198070 558781645 /nfs/dbraw/zinc/78/16/45/558781645.db2.gz NCNNUBANTUCMRY-HXUWFJFHSA-N -1 0 402.450 4.758 50 0 HJAARM Cc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2cc(Cl)c([O-])c(Cl)c2)cc1C ZINC000016312356 558785843 /nfs/dbraw/zinc/78/58/43/558785843.db2.gz BEPIJZKPUYAWSC-QGZVFWFLSA-N -1 0 420.296 4.582 50 0 HJAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccccc2)c1 ZINC000016956192 558810091 /nfs/dbraw/zinc/81/00/91/558810091.db2.gz VTERIPRODZDKEM-UHFFFAOYSA-N -1 0 404.495 4.791 50 0 HJAARM CCC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000017088153 558817032 /nfs/dbraw/zinc/81/70/32/558817032.db2.gz NGJQWVPKBLRUTJ-HNNXBMFYSA-N -1 0 408.951 4.676 50 0 HJAARM Cc1cccc(NC(=O)c2c(NC(=O)CCCC(=O)[O-])sc3c2CCCCC3)c1 ZINC000017090023 558818542 /nfs/dbraw/zinc/81/85/42/558818542.db2.gz RVYGLORLEKNLEG-UHFFFAOYSA-N -1 0 414.527 4.771 50 0 HJAARM CCc1cc(-c2csc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)on1 ZINC000033169535 558902915 /nfs/dbraw/zinc/90/29/15/558902915.db2.gz RVBXPIIJYSIERM-UHFFFAOYSA-N -1 0 402.419 4.785 50 0 HJAARM CC[C@]12CC[C@@H]3c4ccc(OC)cc4CC[C@@H]3[C@@H]1CC[C@@H]2OC(=O)CCC(=O)[O-] ZINC000071770953 558911220 /nfs/dbraw/zinc/91/12/20/558911220.db2.gz HOMJBWXVSCJMPK-AJLGQFKYSA-N -1 0 400.515 4.718 50 0 HJAARM Cc1ccc(S(=O)(=O)Nc2ccc(N(CC(C)C)CC(C)C)c(C(=O)[O-])c2)cc1 ZINC000033253581 558921793 /nfs/dbraw/zinc/92/17/93/558921793.db2.gz KHDRCNFIJFOUNV-UHFFFAOYSA-N -1 0 418.559 4.612 50 0 HJAARM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N(CC(C)C)CC(C)C)cc1 ZINC000033254015 558922450 /nfs/dbraw/zinc/92/24/50/558922450.db2.gz RDJJBDOTEPXEHY-UHFFFAOYSA-N -1 0 418.559 4.612 50 0 HJAARM CCCCN(CC)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000033254004 558922461 /nfs/dbraw/zinc/92/24/61/558922461.db2.gz FNEIVGTVLBWSJH-UHFFFAOYSA-N -1 0 418.559 4.935 50 0 HJAARM CCCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(OCC)cc2)c1=O ZINC000100707326 559259274 /nfs/dbraw/zinc/25/92/74/559259274.db2.gz ZDLOVZTVVGOEOP-UHFFFAOYSA-N -1 0 408.498 4.938 50 0 HJAARM Cc1noc(C)c1[C@@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccc(Cl)cc1 ZINC000061720431 560536704 /nfs/dbraw/zinc/53/67/04/560536704.db2.gz QWZHFELKUGAIAB-LBPRGKRZSA-N -1 0 402.859 4.846 50 0 HJAARM O=C([O-])COc1ccc(Br)cc1-c1csc(Nc2ccccc2)n1 ZINC000005395114 560625504 /nfs/dbraw/zinc/62/55/04/560625504.db2.gz LLCPREXUAHVEAH-UHFFFAOYSA-N -1 0 405.273 4.780 50 0 HJAARM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Br)s1 ZINC000000665539 560725030 /nfs/dbraw/zinc/72/50/30/560725030.db2.gz OUBORLYLCIBGBA-UHFFFAOYSA-N -1 0 420.659 4.984 50 0 HJAARM Cc1ccc(NC(=O)/C=C\c2cccc(F)c2)cc1NS(=O)(=O)c1ccccc1 ZINC000098007635 560759201 /nfs/dbraw/zinc/75/92/01/560759201.db2.gz HLUIKBZRIBIPAT-QBFSEMIESA-N -1 0 410.470 4.587 50 0 HJAARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1CC(=O)Nc1ccc(C)cc1C ZINC000101505368 560796673 /nfs/dbraw/zinc/79/66/73/560796673.db2.gz QRUMGASVXLWXHG-UHFFFAOYSA-N -1 0 418.522 4.808 50 0 HJAARM CC(C)c1ccc(NC(=O)c2ccccc2NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000000627579 568456110 /nfs/dbraw/zinc/45/61/10/568456110.db2.gz KYYCBOGDJGRCEP-RBUKOAKNSA-N -1 0 408.498 4.892 50 0 HJAARM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2C(F)(F)F)c1 ZINC000225464975 568640456 /nfs/dbraw/zinc/64/04/56/568640456.db2.gz OTPRMHODSFDBAD-UHFFFAOYSA-N -1 0 409.788 4.891 50 0 HJAARM O=C(/C=C\c1ccc(Cl)cc1)Nc1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000096405178 568750637 /nfs/dbraw/zinc/75/06/37/568750637.db2.gz NCQJENCEMFTXGQ-XFXZXTDPSA-N -1 0 418.927 4.854 50 0 HJAARM O=c1oc2cc([O-])ccc2cc1-c1nnc(Nc2cccc(C(F)(F)F)c2)s1 ZINC000000970930 568759196 /nfs/dbraw/zinc/75/91/96/568759196.db2.gz GPEIPGHUYHVKCV-UHFFFAOYSA-N -1 0 405.357 4.780 50 0 HJAARM O=C([O-])CC1=C(Nc2ccc(F)cc2)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000001071226 568765641 /nfs/dbraw/zinc/76/56/41/568765641.db2.gz MNXZLYQUEYRVHG-HSZRJFAPSA-N -1 0 420.415 4.894 50 0 HJAARM O=S(=O)([N-]c1ncnc2sc(-c3ccccc3)cc21)c1ccc(Cl)cc1 ZINC000002641776 568793851 /nfs/dbraw/zinc/79/38/51/568793851.db2.gz MEWNSNYYOUWNNG-UHFFFAOYSA-N -1 0 401.900 4.813 50 0 HJAARM O=C(CCCCn1c(=O)c2sc3ccccc3c2[n-]c1=S)NC1CCCCC1 ZINC000002686839 568800856 /nfs/dbraw/zinc/80/08/56/568800856.db2.gz NXALSDGXGLYOBM-UHFFFAOYSA-N -1 0 415.584 4.893 50 0 HJAARM Cc1nn([C@@H](C)c2nnc([N-]c3ccn(Cc4ccccc4)n3)s2)c(C)c1Cl ZINC000002731549 568804920 /nfs/dbraw/zinc/80/49/20/568804920.db2.gz CVRQBCNTYKEJGQ-AWEZNQCLSA-N -1 0 413.938 4.603 50 0 HJAARM CCCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000005952037 568832055 /nfs/dbraw/zinc/83/20/55/568832055.db2.gz GFBUZDLCXPCTRE-HZPDHXFCSA-N -1 0 413.495 4.587 50 0 HJAARM CCCCOc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000003289853 568872954 /nfs/dbraw/zinc/87/29/54/568872954.db2.gz SYPULJOAZXAZBW-UHFFFAOYSA-N -1 0 407.495 4.763 50 0 HJAARM O=C(c1cnc2nc(N3CCCCC3)sc2c1)c1cc(Cl)cc(Cl)c1[O-] ZINC000003441644 568903875 /nfs/dbraw/zinc/90/38/75/568903875.db2.gz ZGDYRWKHGYJUHA-UHFFFAOYSA-N -1 0 408.310 4.925 50 0 HJAARM Cc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccccc2)c3=O)cc1C ZINC000003630426 568921218 /nfs/dbraw/zinc/92/12/18/568921218.db2.gz DBWQQPQCEBIEKH-UHFFFAOYSA-N -1 0 415.518 4.977 50 0 HJAARM O=C([O-])c1ccc(CSCC(=O)NCCC(c2ccccc2)c2ccccc2)cc1 ZINC000012743209 568930264 /nfs/dbraw/zinc/93/02/64/568930264.db2.gz RXKPYXXFDDJNPB-UHFFFAOYSA-N -1 0 419.546 4.956 50 0 HJAARM O=C([O-])CCC(=O)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 ZINC000004141007 568946383 /nfs/dbraw/zinc/94/63/83/568946383.db2.gz UIZUUVXQIBFHTF-WYZZFHORSA-N -1 0 424.447 4.953 50 0 HJAARM O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)NCCc1ccccc1 ZINC000000641151 569012395 /nfs/dbraw/zinc/01/23/95/569012395.db2.gz ZPBFZNAEOLYOLQ-UHFFFAOYSA-N -1 0 407.080 4.971 50 0 HJAARM Cc1oc(-c2ccc(OC(C)C)cc2)nc1CSc1nc2c(c(=O)[nH]1)CCCC2 ZINC000035480785 569039363 /nfs/dbraw/zinc/03/93/63/569039363.db2.gz BDMVASKWXRPKQZ-UHFFFAOYSA-N -1 0 411.527 4.692 50 0 HJAARM Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000035539447 569043695 /nfs/dbraw/zinc/04/36/95/569043695.db2.gz LOHAOVQHMZKYKE-UHFFFAOYSA-N -1 0 413.883 4.577 50 0 HJAARM Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)[N-]c1cccc2ccccc21 ZINC000035539461 569043747 /nfs/dbraw/zinc/04/37/47/569043747.db2.gz HKPYURGRGRPDKZ-UHFFFAOYSA-N -1 0 411.508 4.938 50 0 HJAARM CCCC[C@H](CC)[C@@H]1[C@@H]2C(=O)N(c3ccccc3C)C([O-])=C2ON1c1ccccc1 ZINC000245329510 569056117 /nfs/dbraw/zinc/05/61/17/569056117.db2.gz ZWVOJGSNYJKDCJ-IITNATTFSA-N -1 0 406.526 4.890 50 0 HJAARM O=c1oc2ccccc2c([O-])c1[C@@H]1c2ccccc2Oc2c3ccccc3oc(=O)c21 ZINC000006576216 569066785 /nfs/dbraw/zinc/06/67/85/569066785.db2.gz OALUGYLIPAUKCN-IBGZPJMESA-N -1 0 410.381 4.891 50 0 HJAARM O=C(COC(=O)c1cc(Cl)c([O-])c(Cl)c1)c1cccc(Br)c1 ZINC000006589049 569068196 /nfs/dbraw/zinc/06/81/96/569068196.db2.gz BAPCHVYBPFBVLO-UHFFFAOYSA-N -1 0 404.043 4.501 50 0 HJAARM CCCCN(C)c1ccc(NC(=O)c2ccc(Br)cc2)c(C(=O)[O-])c1 ZINC000064589035 569068987 /nfs/dbraw/zinc/06/89/87/569068987.db2.gz FEPDGFWFENWEDL-UHFFFAOYSA-N -1 0 405.292 4.636 50 0 HJAARM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1cccc(C)c1C ZINC000064670134 569079060 /nfs/dbraw/zinc/07/90/60/569079060.db2.gz ICVBWNNWMWNETE-UHFFFAOYSA-N -1 0 402.541 4.935 50 0 HJAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2cccc(F)c2F)CC(=O)N3)cc1 ZINC000064796999 569096769 /nfs/dbraw/zinc/09/67/69/569096769.db2.gz RXTGPJAVHFLLMD-ZDUSSCGKSA-N -1 0 415.417 4.874 50 0 HJAARM CCN(C(=O)c1ccc2c(c1)nc1c(c2SCC(=O)[O-])CCC1)c1ccccc1C ZINC000006738836 569105430 /nfs/dbraw/zinc/10/54/30/569105430.db2.gz BODWJLDWFGOFHM-UHFFFAOYSA-N -1 0 420.534 4.875 50 0 HJAARM Cc1c(Cl)cccc1-n1ncc(C(=O)[O-])c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000006769781 569116007 /nfs/dbraw/zinc/11/60/07/569116007.db2.gz WWQCOKIGMAMRHA-UHFFFAOYSA-N -1 0 419.909 4.647 50 0 HJAARM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)cc1 ZINC000065004218 569152360 /nfs/dbraw/zinc/15/23/60/569152360.db2.gz KVIWMSNULTZDPI-UHFFFAOYSA-N -1 0 402.497 4.674 50 0 HJAARM C[C@@H]1CCc2c(sc3[nH]c(=O)c(C(=O)Nc4cc(Cl)cc(Cl)c4)c([O-])c23)C1 ZINC000065150416 569184861 /nfs/dbraw/zinc/18/48/61/569184861.db2.gz VGHBSYIJQNSGPZ-MRVPVSSYSA-N -1 0 423.321 4.979 50 0 HJAARM COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000007005245 569198492 /nfs/dbraw/zinc/19/84/92/569198492.db2.gz PDZPAPZKEGECJX-UHFFFAOYSA-N -1 0 406.891 4.730 50 0 HJAARM CCOc1ccc2nc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)sc2c1 ZINC000230510456 569359782 /nfs/dbraw/zinc/35/97/82/569359782.db2.gz QGSFJEDNYRWWMT-UHFFFAOYSA-N -1 0 402.419 4.515 50 0 HJAARM O=C1C[C@@H](c2ccncc2)c2c(cc([O-])c3c(=O)c(-c4ccc(Cl)cc4)coc32)O1 ZINC000253412693 569366766 /nfs/dbraw/zinc/36/67/66/569366766.db2.gz RSZIQIMEVSHYGG-HNNXBMFYSA-N -1 0 419.820 4.655 50 0 biogenic HJAARM CCc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000002369700 569388692 /nfs/dbraw/zinc/38/86/92/569388692.db2.gz OKUIBGWAPFRCFW-UHFFFAOYSA-N -1 0 422.485 4.876 50 0 HJAARM O=C([O-])c1sccc1Oc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000008857288 569390630 /nfs/dbraw/zinc/39/06/30/569390630.db2.gz QIWUNWLHFGPBIC-UHFFFAOYSA-N -1 0 409.872 4.693 50 0 HJAARM CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)CCC(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000012660608 569402566 /nfs/dbraw/zinc/40/25/66/569402566.db2.gz ISWWOVSADRRNCB-FLZCKMBDSA-N -1 0 416.558 4.931 50 0 biogenic HJAARM O=C(Nc1ccc([N-]S(=O)(=O)c2ccccc2)c(C(F)(F)F)c1)c1ccccc1 ZINC000078623864 569414560 /nfs/dbraw/zinc/41/45/60/569414560.db2.gz OQCPEBZSYVAJBY-UHFFFAOYSA-N -1 0 420.412 4.759 50 0 HJAARM CSc1nc2ccc([N-]S(=O)(=O)c3ccccc3Br)cc2s1 ZINC000008725712 571108148 /nfs/dbraw/zinc/10/81/48/571108148.db2.gz ZYWGDPNPRPYYRQ-UHFFFAOYSA-N -1 0 415.359 4.582 50 0 HJAARM CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000009002248 571209734 /nfs/dbraw/zinc/20/97/34/571209734.db2.gz PQWBHPCEFCIRIY-UHFFFAOYSA-N -1 0 401.509 4.701 50 0 HJAARM CCc1cccc([N-]S(=O)(=O)c2c(-c3ccc(C)cc3)csc2C(=O)OC)c1 ZINC000009002254 571209788 /nfs/dbraw/zinc/20/97/88/571209788.db2.gz ULCFIOZNMGKDEK-UHFFFAOYSA-N -1 0 415.536 4.873 50 0 HJAARM COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000009320685 571248103 /nfs/dbraw/zinc/24/81/03/571248103.db2.gz WSPMFENAEXMIJL-UHFFFAOYSA-N -1 0 419.499 4.758 50 0 HJAARM CCCn1nc([N-]S(=O)(=O)c2ccc(Cl)cc2)c2cc3cc(C)ccc3nc21 ZINC000009332707 571248825 /nfs/dbraw/zinc/24/88/25/571248825.db2.gz BOQCSEYLCFJNGE-UHFFFAOYSA-N -1 0 414.918 4.757 50 0 HJAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(Cl)cc2-c2ccccc2)C[C@H]1C(=O)[O-] ZINC000042783144 518818366 /nfs/dbraw/zinc/81/83/66/518818366.db2.gz WERVLMPWUZADIW-WMZOPIPTSA-N -1 0 417.889 4.848 50 0 HJAARM CC[C@H](C)[C@H](NC(=O)c1sc(-c2c(Cl)cccc2Cl)nc1C)C(=O)[O-] ZINC000040285327 521974814 /nfs/dbraw/zinc/97/48/14/521974814.db2.gz XXMCJZKVYVTFMI-SDBXPKJASA-N -1 0 401.315 4.654 50 0 HJAARM CCc1ccc2oc(-c3ccc(OC)c(OC)c3)c/c(=N\[C@@H](C(=O)[O-])C(C)C)c2c1 ZINC000019794116 524060783 /nfs/dbraw/zinc/06/07/83/524060783.db2.gz PJXWAOOGGCFXNT-DMUURETOSA-N -1 0 409.482 4.689 50 0 HJAARM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cn2)c(C(C)C)cc1Br ZINC000032602044 525419615 /nfs/dbraw/zinc/41/96/15/525419615.db2.gz SFQZAQLQZRKJHW-UHFFFAOYSA-N -1 0 403.729 4.730 50 0 HJAARM O=S(=O)([N-]c1ccc(Oc2ccc(F)cc2)nc1)c1ccc(C(F)(F)F)cc1 ZINC000001023830 557144449 /nfs/dbraw/zinc/14/44/49/557144449.db2.gz CQXMKHRGHBZIOW-UHFFFAOYSA-N -1 0 412.364 4.833 50 0 HJAARM C[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000001129145 557196905 /nfs/dbraw/zinc/19/69/05/557196905.db2.gz HFKFEYKKKGFBFE-HNNXBMFYSA-N -1 0 414.914 4.632 50 0 HJAARM COc1cc(-c2n[n-]c(=S)n2-c2cccc(C(F)(F)F)c2)cc(OC)c1OC ZINC000001443461 557265210 /nfs/dbraw/zinc/26/52/10/557265210.db2.gz QJKFBVZQCXPXEU-UHFFFAOYSA-N -1 0 411.405 4.641 50 0 HJAARM Cc1oc2cc(O[C@@H](C)C(=O)[O-])ccc2c(=O)c1Oc1ccc(Br)cc1 ZINC000002097642 557313375 /nfs/dbraw/zinc/31/33/75/557313375.db2.gz RGKVWWSCABTOOE-NSHDSACASA-N -1 0 419.227 4.508 50 0 biogenic HJAARM Cc1ccc(-c2csc3nc(SCC(=O)[O-])n(-c4ccccc4)c(=O)c23)cc1 ZINC000002221488 557328102 /nfs/dbraw/zinc/32/81/02/557328102.db2.gz QOKXBVARARZLHL-UHFFFAOYSA-N -1 0 408.504 4.599 50 0 HJAARM CC(C)(C)[C@H]1CCc2c(sc3c2c(=O)n(Cc2ccccc2)c2n[n-]c(=S)n32)C1 ZINC000002276848 557333880 /nfs/dbraw/zinc/33/38/80/557333880.db2.gz SHFAKUIMEINUHI-AWEZNQCLSA-N -1 0 424.595 4.968 50 0 HJAARM Cc1cccc(C[C@@H](CC(=O)[O-])NC(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC000002385951 557342949 /nfs/dbraw/zinc/34/29/49/557342949.db2.gz UKIDBCGNTDOQRO-IBGZPJMESA-N -1 0 415.489 4.920 50 0 HJAARM CCc1cccc2c([C@@H](CC(=O)c3ccc(Br)cc3)C(=O)[O-])c[nH]c21 ZINC000002555604 557356253 /nfs/dbraw/zinc/35/62/53/557356253.db2.gz KLXYVIOGRJNDNV-MRXNPFEDSA-N -1 0 400.272 4.934 50 0 HJAARM Cc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)[O-])cc2)c2cccc(Cl)c2)cc1 ZINC000002980822 557435382 /nfs/dbraw/zinc/43/53/82/557435382.db2.gz BWMOEJGKOKGHAR-UHFFFAOYSA-N -1 0 415.898 4.742 50 0 HJAARM O=C([O-])COc1cccc(/C=C2/SC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000002999542 557439584 /nfs/dbraw/zinc/43/95/84/557439584.db2.gz HUQQFHSFBZMMSC-VIZOYTHASA-N -1 0 424.261 4.698 50 0 HJAARM O=C([O-])c1ccc(CSc2nnc(Cc3ccccc3)n2-c2ccccc2)cc1 ZINC000004570903 557568975 /nfs/dbraw/zinc/56/89/75/557568975.db2.gz SJGACKHVCUMHHR-UHFFFAOYSA-N -1 0 401.491 4.849 50 0 HJAARM O=C([O-])c1cc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)ccc1Cl ZINC000004845226 557605462 /nfs/dbraw/zinc/60/54/62/557605462.db2.gz NSYZUJDKRCLCAW-UHFFFAOYSA-N -1 0 410.882 4.832 50 0 HJAARM CCC[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000005050664 557630356 /nfs/dbraw/zinc/63/03/56/557630356.db2.gz VNAUKIJIWHOCLZ-CQSZACIVSA-N -1 0 408.951 4.676 50 0 HJAARM COc1ccc([C@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3ccccc3S2)cc1O ZINC000005441717 557653799 /nfs/dbraw/zinc/65/37/99/557653799.db2.gz LPESUUTXLJEIKH-HXUWFJFHSA-N -1 0 409.463 4.726 50 0 HJAARM Oc1ccc(Br)c([C@@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN32)c1 ZINC000005739517 557672178 /nfs/dbraw/zinc/67/21/78/557672178.db2.gz UURPCKVFPOVUCN-XLIONFOSSA-N -1 0 411.255 4.990 50 0 HJAARM [O-]c1c([C@H](c2ccc(Cl)cc2)N2CCCC2)sc2nc(-c3ccco3)nn12 ZINC000022851926 557839483 /nfs/dbraw/zinc/83/94/83/557839483.db2.gz OEPXBZLJLKNZOU-HNNXBMFYSA-N -1 0 400.891 4.595 50 0 HJAARM Cc1cccc2c1nc1[n-]c(NN=Cc3ccc(OCc4ccccc4)cc3)nnc2-1 ZINC000004322751 557850519 /nfs/dbraw/zinc/85/05/19/557850519.db2.gz OBSFXDARIBONRV-UHFFFAOYSA-N -1 0 408.465 4.840 50 0 HJAARM Cc1ccc(OCCN(Cc2ccccc2)Cc2nc(=O)c3sccc3[n-]2)cc1 ZINC000024528326 558600395 /nfs/dbraw/zinc/60/03/95/558600395.db2.gz AKKGCXSWBYKZQT-UHFFFAOYSA-N -1 0 405.523 4.787 50 0 HJAARM COc1ccc([C@H]2N[C@H](C(=O)[O-])CS2)cc1COc1ccc(-c2ccccc2)cc1 ZINC000013961505 558609318 /nfs/dbraw/zinc/60/93/18/558609318.db2.gz KZNCPDBPSXLOOG-GMAHTHKFSA-N -1 0 421.518 4.729 50 0 HJAARM O=C([O-])C1(NC(=O)OCC2c3ccccc3-c3ccccc32)C2CC3CC(C2)CC1C3 ZINC000113262286 558667536 /nfs/dbraw/zinc/66/75/36/558667536.db2.gz RBURZOWRTXGQPH-UHFFFAOYSA-N -1 0 417.505 4.805 50 0 HJAARM CCc1sc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c(C(=O)OC)c1-c1ccccc1 ZINC000017090324 558818967 /nfs/dbraw/zinc/81/89/67/558818967.db2.gz KCKYVNCGERSSQD-CABCVRRESA-N -1 0 415.511 4.594 50 0 HJAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccccc2F)c1 ZINC000017206309 558825693 /nfs/dbraw/zinc/82/56/93/558825693.db2.gz ZBJQSBQYADTULJ-UHFFFAOYSA-N -1 0 422.485 4.930 50 0 HJAARM CCOc1ccc(NC(=O)c2cnc([N-]c3nc4ccccc4s3)nc2C)cc1 ZINC000017722223 558827754 /nfs/dbraw/zinc/82/77/54/558827754.db2.gz VZWOLOPRZMYMRC-UHFFFAOYSA-N -1 0 405.483 4.789 50 0 HJAARM CC(C)c1ccc(S(=O)(=O)Nc2ccc(N3CCCCCC3)cc2C(=O)[O-])cc1 ZINC000033007296 558827946 /nfs/dbraw/zinc/82/79/46/558827946.db2.gz NGMBNLFQDRVQAO-UHFFFAOYSA-N -1 0 416.543 4.689 50 0 HJAARM CCCc1ccc(S(=O)(=O)Nc2ccc(N3CCCCCC3)cc2C(=O)[O-])cc1 ZINC000033007427 558828341 /nfs/dbraw/zinc/82/83/41/558828341.db2.gz KAWRQCFTDFFLPA-UHFFFAOYSA-N -1 0 416.543 4.519 50 0 HJAARM [O-]c1c(F)cc(-c2nc(-c3cccc(Cn4cnc5ccccc54)c3)no2)cc1F ZINC000097143561 558997047 /nfs/dbraw/zinc/99/70/47/558997047.db2.gz FQDKOBYTQZQGME-UHFFFAOYSA-N -1 0 404.376 4.785 50 0 HJAARM CCSc1nc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3OC)cc2s1 ZINC000033298847 559048112 /nfs/dbraw/zinc/04/81/12/559048112.db2.gz VQMWTVXFVDAGSY-UHFFFAOYSA-N -1 0 414.961 4.871 50 0 HJAARM CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(OCCC)cc2)c1=O ZINC000100658318 559137497 /nfs/dbraw/zinc/13/74/97/559137497.db2.gz SSWRIAOKKKIJRJ-UHFFFAOYSA-N -1 0 408.498 4.938 50 0 HJAARM CCc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000002243988 560559342 /nfs/dbraw/zinc/55/93/42/560559342.db2.gz GMPZEBLFFWXVTL-DEOSSOPVSA-N -1 0 415.489 4.783 50 0 HJAARM COc1cc([C@H]2CC(c3ccccc3)=NN2c2ccccc2)ccc1OCC(=O)[O-] ZINC000005416577 560584686 /nfs/dbraw/zinc/58/46/86/560584686.db2.gz BPERWKHCZSFQRP-OAQYLSRUSA-N -1 0 402.450 4.514 50 0 HJAARM CCC(C)(C)c1ccc(OCC(=O)Nc2ccc(Br)cc2C(=O)[O-])cc1 ZINC000018051214 560774059 /nfs/dbraw/zinc/77/40/59/560774059.db2.gz TZFNVWVYNIUGOS-UHFFFAOYSA-N -1 0 420.303 4.852 50 0 HJAARM Cc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@@H]2c1ccc(C(C)C)cc1 ZINC000102402275 560811244 /nfs/dbraw/zinc/81/12/44/560811244.db2.gz JNVWSCBUCGEQQL-OAQYLSRUSA-N -1 0 416.481 4.551 50 0 HJAARM COc1ccc(C([O-])=C(C(=O)C(F)(F)F)C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000100127462 560850310 /nfs/dbraw/zinc/85/03/10/560850310.db2.gz KQHPQHSKJKPGGW-IWGLNFRWSA-N -1 0 410.432 4.851 50 0 HJAARM Cc1ccccc1CN(CC(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000309574291 560855243 /nfs/dbraw/zinc/85/52/43/560855243.db2.gz GYRHLAWFLXSRFP-UHFFFAOYSA-N -1 0 401.462 4.831 50 0 HJAARM Cc1ccccc1C(=O)Nc1ccc(N2CC[C@H](c3ccccc3)C2)c(C(=O)[O-])c1 ZINC000046053648 568425475 /nfs/dbraw/zinc/42/54/75/568425475.db2.gz QVIJEOMTPNSHLA-IBGZPJMESA-N -1 0 400.478 4.939 50 0 HJAARM O=C([O-])[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)cc1 ZINC000221538010 568510037 /nfs/dbraw/zinc/51/00/37/568510037.db2.gz MRKNBVBFPVLABO-NRFANRHFSA-N -1 0 405.425 4.533 50 0 HJAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccc(OC(F)F)cc2)C1 ZINC000033504638 568514843 /nfs/dbraw/zinc/51/48/43/568514843.db2.gz UCUIBIWUXLFFGQ-PTNGSMBKSA-N -1 0 410.420 4.911 50 0 HJAARM CC(C)(C)OC(=O)N1CCC(C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)CC1 ZINC000095448227 568612679 /nfs/dbraw/zinc/61/26/79/568612679.db2.gz NVPZLPPCCDQVDT-UHFFFAOYSA-N -1 0 423.724 4.938 50 0 HJAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2cnc(C3CC3)o2)ccc1C ZINC000021034203 568659521 /nfs/dbraw/zinc/65/95/21/568659521.db2.gz JHWXOODQVITSSG-UHFFFAOYSA-N -1 0 418.902 4.990 50 0 HJAARM O=S(=O)([N-]c1cnc(Cl)c(Br)c1)c1cccc(Cl)c1Cl ZINC000095944089 568662844 /nfs/dbraw/zinc/66/28/44/568662844.db2.gz QCCGZZFIPXDGAN-UHFFFAOYSA-N -1 0 416.511 4.605 50 0 HJAARM O=C([O-])c1cc(/C=C\c2cccc(NC(=O)C(F)(F)F)c2)nc2cc(F)ccc21 ZINC000096196513 568704011 /nfs/dbraw/zinc/70/40/11/568704011.db2.gz KAEWTZCTZJAWRV-XQRVVYSFSA-N -1 0 404.319 4.743 50 0 HJAARM CCCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000005952036 568832052 /nfs/dbraw/zinc/83/20/52/568832052.db2.gz GFBUZDLCXPCTRE-CVEARBPZSA-N -1 0 413.495 4.587 50 0 HJAARM CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])sc(C)c1-c1ccccc1 ZINC000005953054 568832166 /nfs/dbraw/zinc/83/21/66/568832166.db2.gz RFDFVGVRSUKMKA-JKSUJKDBSA-N -1 0 413.495 4.506 50 0 HJAARM CCCCN(CC)C(=O)c1ccc2c(c1)[n-]c(=S)n(CCc1ccccc1)c2=O ZINC000012522720 568842147 /nfs/dbraw/zinc/84/21/47/568842147.db2.gz IDYBQWTYVGIBKV-UHFFFAOYSA-N -1 0 409.555 4.564 50 0 HJAARM CCOc1ccc([C@H](CC(=O)[O-])NC(=O)CCCOc2ccc(Cl)cc2C)cc1 ZINC000003624357 568864596 /nfs/dbraw/zinc/86/45/96/568864596.db2.gz WSVURFIYNJHXEA-IBGZPJMESA-N -1 0 419.905 4.538 50 0 HJAARM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1)C1CC1 ZINC000012585253 568866025 /nfs/dbraw/zinc/86/60/25/568866025.db2.gz QPVKATCZLXJIIO-UHFFFAOYSA-N -1 0 418.824 4.508 50 0 HJAARM COC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(C)cc1 ZINC000003864233 568869000 /nfs/dbraw/zinc/86/90/00/568869000.db2.gz CYGFQQAUVZUPNV-HOTGVXAUSA-N -1 0 415.511 4.648 50 0 HJAARM Cc1cc2c(ncn2C)c([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1C ZINC000001385954 568922529 /nfs/dbraw/zinc/92/25/29/568922529.db2.gz LWRLQGBUKSBXGB-UHFFFAOYSA-N -1 0 418.733 4.951 50 0 HJAARM O=C([O-])c1ccccc1[S@](=O)c1cccc(OCc2ccc3ccccc3n2)c1 ZINC000035907679 569012701 /nfs/dbraw/zinc/01/27/01/569012701.db2.gz YHJZHTBLXIBSIV-LJAQVGFWSA-N -1 0 403.459 4.679 50 0 HJAARM O=C([O-])c1ccccc1[S@@](=O)c1cccc(OCc2ccc3ccccc3n2)c1 ZINC000035907680 569012731 /nfs/dbraw/zinc/01/27/31/569012731.db2.gz YHJZHTBLXIBSIV-GDLZYMKVSA-N -1 0 403.459 4.679 50 0 HJAARM CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(OC)c2ccccc21 ZINC000035685405 569048008 /nfs/dbraw/zinc/04/80/08/569048008.db2.gz FRCKTTHBPHXOGZ-UHFFFAOYSA-N -1 0 413.495 4.542 50 0 HJAARM O=c1oc2ccccc2c([O-])c1-c1c(-c2ccc(O)cc2)nc2ccc(Cl)cn21 ZINC000524729402 569051541 /nfs/dbraw/zinc/05/15/41/569051541.db2.gz SARXBCUQLKEXKJ-UHFFFAOYSA-N -1 0 404.809 4.839 50 0 biogenic HJAARM CC(C)Sc1nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc2s1 ZINC000064747850 569089054 /nfs/dbraw/zinc/08/90/54/569089054.db2.gz SFYLRIHAMLPWKX-UHFFFAOYSA-N -1 0 400.497 4.876 50 0 HJAARM Cc1ccc([N-]S(=O)(=O)c2cccnc2Nc2ccc(Br)cc2)cc1 ZINC000064757527 569091165 /nfs/dbraw/zinc/09/11/65/569091165.db2.gz ZCNXRARCKKXSQH-UHFFFAOYSA-N -1 0 418.316 4.697 50 0 HJAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2ccc(OC)cc2)CC(=O)N3)cc1 ZINC000064796759 569096761 /nfs/dbraw/zinc/09/67/61/569096761.db2.gz IACZPNLPEJVNFO-INIZCTEOSA-N -1 0 409.463 4.605 50 0 HJAARM CSc1cccc([N-]S(=O)(=O)c2cc(-c3noc(C4CC4)n3)sc2C)c1 ZINC000064844664 569107877 /nfs/dbraw/zinc/10/78/77/569107877.db2.gz YUEKNWLVZQTSNI-UHFFFAOYSA-N -1 0 407.542 4.507 50 0 HJAARM CSc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c1 ZINC000006784534 569120933 /nfs/dbraw/zinc/12/09/33/569120933.db2.gz ZAFYEDWUQPFZQA-UHFFFAOYSA-N -1 0 404.538 4.523 50 0 HJAARM Cc1ccc(NC(=O)c2c([O-])c3c4c(sc3[nH]c2=O)C[C@@H](C)CC4)c(Cl)c1 ZINC000065150483 569184859 /nfs/dbraw/zinc/18/48/59/569184859.db2.gz DRGGIXBXKMSOLC-JTQLQIEISA-N -1 0 402.903 4.634 50 0 HJAARM Cc1cccc(C)c1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000083328089 569254762 /nfs/dbraw/zinc/25/47/62/569254762.db2.gz SONZSWVVQNNLAB-DEOSSOPVSA-N -1 0 415.489 4.838 50 0 HJAARM O=C([O-])[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(F)ccc1F ZINC000095748966 569278819 /nfs/dbraw/zinc/27/88/19/569278819.db2.gz IFRHOKKAJGRVJG-OAQYLSRUSA-N -1 0 409.388 4.629 50 0 HJAARM COc1ccc(-c2cc(=O)oc3cc(OCc4ccc(C(=O)[O-])cc4)ccc32)cc1 ZINC000002106988 569283090 /nfs/dbraw/zinc/28/30/90/569283090.db2.gz TVVKZMQXHWEDNX-UHFFFAOYSA-N -1 0 402.402 4.746 50 0 biogenic HJAARM O=C([O-])C[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 ZINC000253188602 569363721 /nfs/dbraw/zinc/36/37/21/569363721.db2.gz XALWLSKRFCZNFL-SFHVURJKSA-N -1 0 401.462 4.784 50 0 HJAARM CCOc1ccc(NC(=O)c2ccc3c(c2)nc2c(c3SCC(=O)[O-])CCC2)cc1 ZINC000008603813 571091283 /nfs/dbraw/zinc/09/12/83/571091283.db2.gz CALSVHOXYDIJJB-UHFFFAOYSA-N -1 0 422.506 4.551 50 0 HJAARM O=C(NC([N-]c1nc2c(s1)CCCC2)(C(F)(F)F)C(F)(F)F)c1ccccc1 ZINC000009320581 571248079 /nfs/dbraw/zinc/24/80/79/571248079.db2.gz XXOLRFYXAYRQCD-UHFFFAOYSA-N -1 0 423.382 4.685 50 0 HJAARM CCCn1nc([N-]S(=O)(=O)c2ccc(Cl)cc2)c2cc3cccc(C)c3nc21 ZINC000009332167 571248809 /nfs/dbraw/zinc/24/88/09/571248809.db2.gz QDGQWWMWVNARCO-UHFFFAOYSA-N -1 0 414.918 4.757 50 0 HJAARM Cc1n[nH]c(SC(=Cc2ccc(OCc3ccccc3Cl)cc2)C(=O)[O-])n1 ZINC000009358185 571251390 /nfs/dbraw/zinc/25/13/90/571251390.db2.gz CSPCBMRFIAQQRW-LICLKQGHSA-N -1 0 401.875 4.563 50 0 HJAARM COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000045992773 522437205 /nfs/dbraw/zinc/43/72/05/522437205.db2.gz MFWWPEOBMOGGBU-UHFFFAOYSA-N -1 0 423.462 4.589 50 0 HJAARM Cc1nc(NC(=O)c2cc(Cl)c([O-])c(Cl)c2)sc1-c1nccn1C(F)F ZINC000032786813 526990870 /nfs/dbraw/zinc/99/08/70/526990870.db2.gz LWBJRCQYSLJJSC-UHFFFAOYSA-N -1 0 419.240 4.975 50 0 HJAARM Fc1ccccc1-n1c(CCc2nc(-c3ccc(Cl)cc3)no2)n[n-]c1=S ZINC000001033215 557148503 /nfs/dbraw/zinc/14/85/03/557148503.db2.gz KAMZAESXPLRZFE-UHFFFAOYSA-N -1 0 401.854 4.558 50 0 HJAARM CC1(C)Cc2oc3ccc([N-]S(=O)(=O)c4cccc5cccnc54)cc3c2C(=O)C1 ZINC000001117751 557188424 /nfs/dbraw/zinc/18/84/24/557188424.db2.gz WQNGGNHCCPFEBA-UHFFFAOYSA-N -1 0 420.490 4.937 50 0 HJAARM O=C([O-])C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(F)c1 ZINC000002387009 557343140 /nfs/dbraw/zinc/34/31/40/557343140.db2.gz ZZERQNLGPZUNLM-JOCHJYFZSA-N -1 0 405.425 4.880 50 0 HJAARM C[C@@H](OC(C)(C)C)[C@@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002386928 557343160 /nfs/dbraw/zinc/34/31/60/557343160.db2.gz UFJMOCVIPRJMLW-QVKFZJNVSA-N -1 0 411.498 4.572 50 0 HJAARM CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000002999043 557439352 /nfs/dbraw/zinc/43/93/52/557439352.db2.gz VKHWGPVPDQFUML-UHFFFAOYSA-N -1 0 409.463 4.851 50 0 HJAARM CC(C)OC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000003864273 557501612 /nfs/dbraw/zinc/50/16/12/557501612.db2.gz IDLBJAWSPQZDTF-JKSUJKDBSA-N -1 0 415.511 4.810 50 0 HJAARM COc1ccc(C(=O)CSc2nc(C)c(Oc3ccc(Cl)cc3)c(=O)[n-]2)cc1 ZINC000005176616 557638947 /nfs/dbraw/zinc/63/89/47/557638947.db2.gz ZBFNLMCXMVUQIB-UHFFFAOYSA-N -1 0 416.886 4.508 50 0 HJAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CCCCC2)c1C ZINC000022671111 557735981 /nfs/dbraw/zinc/73/59/81/557735981.db2.gz LYNMKSZCJWDHGM-UHFFFAOYSA-N -1 0 414.571 4.784 50 0 HJAARM CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])sc(C)c1-c1ccccc1 ZINC000002761554 557755528 /nfs/dbraw/zinc/75/55/28/557755528.db2.gz SFCDLQGMQIBEKE-CVEARBPZSA-N -1 0 415.511 4.730 50 0 HJAARM Cc1cccc2c(C)nc([N-]c3ncc4c(n3)C[C@@H](c3ccc(F)cc3)CC4=O)nc12 ZINC000009350974 557838557 /nfs/dbraw/zinc/83/85/57/557838557.db2.gz JMYMSKHUILEJJA-MRXNPFEDSA-N -1 0 413.456 4.832 50 0 HJAARM Cn1c2ccccc2c([C@H]2c3ccccc3C(=O)N2CC(=O)[O-])c1-c1ccc(F)cc1 ZINC000009526149 557845070 /nfs/dbraw/zinc/84/50/70/557845070.db2.gz OCOHWMKYWBSCIV-XMMPIXPASA-N -1 0 414.436 4.614 50 0 HJAARM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccco4)c3[C@@H]2c2cccs2)cc1 ZINC000009679548 557848302 /nfs/dbraw/zinc/84/83/02/557848302.db2.gz POHKKJOJPVCJCW-FQEVSTJZSA-N -1 0 419.462 4.658 50 0 HJAARM Cc1cccc(-n2c(=S)[n-]c(=O)c3c2NCN(Cc2ccccc2Cl)C3)c1C ZINC000019939140 558313193 /nfs/dbraw/zinc/31/31/93/558313193.db2.gz SOHBRXNOPBGWFN-UHFFFAOYSA-N -1 0 412.946 4.551 50 0 HJAARM Cc1ccc(-c2csc(Nc3ccc(S(=O)(=O)[N-]c4cc(C)on4)cc3)n2)o1 ZINC000012462512 558419323 /nfs/dbraw/zinc/41/93/23/558419323.db2.gz BWSPXRDQMPDHJO-UHFFFAOYSA-N -1 0 416.484 4.552 50 0 HJAARM O=C([O-])c1cc(-c2cccs2)nc2c3c(nn21)nc(C(F)(F)F)cc3C1CC1 ZINC000013645423 558556354 /nfs/dbraw/zinc/55/63/54/558556354.db2.gz MAOLBULVDNHZDT-UHFFFAOYSA-N -1 0 404.373 4.600 50 0 HJAARM CCCC[C@H](CC)[C@@H]1[C@H]2C(=O)N(c3cccc(C)c3)C([O-])=C2ON1c1ccccc1 ZINC000013752123 558589971 /nfs/dbraw/zinc/58/99/71/558589971.db2.gz QGBCDYBRZMPPGI-MKWLTTDUSA-N -1 0 406.526 4.890 50 0 HJAARM Cc1ccc2nc(Cl)c([C@H]3CC(c4ccccc4)=NN3C(=O)CCC(=O)[O-])cc2c1 ZINC000013809731 558595278 /nfs/dbraw/zinc/59/52/78/558595278.db2.gz XGVUBLMIZBPBLT-HXUWFJFHSA-N -1 0 421.884 4.739 50 0 HJAARM O=c1nc(CSc2nnc(-c3ccco3)n2C2CCCCC2)[n-]c2ccsc21 ZINC000004492689 558610006 /nfs/dbraw/zinc/61/00/06/558610006.db2.gz HWRDVHFKELQJLT-UHFFFAOYSA-N -1 0 413.528 4.634 50 0 HJAARM Cc1nn(Cc2ccccc2F)c(C)c1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000014233647 558640502 /nfs/dbraw/zinc/64/05/02/558640502.db2.gz KRZYELNGIPYOOE-UHFFFAOYSA-N -1 0 415.534 4.687 50 0 HJAARM O=C([O-])c1ccc(-n2nnnc2S[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000015837688 558756175 /nfs/dbraw/zinc/75/61/75/558756175.db2.gz TYLRTAGNUMITMV-IBGZPJMESA-N -1 0 422.897 4.896 50 0 HJAARM Cc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2cc(Cl)c([O-])c(Cl)c2)cc1C ZINC000016312358 558785859 /nfs/dbraw/zinc/78/58/59/558785859.db2.gz BEPIJZKPUYAWSC-KRWDZBQOSA-N -1 0 420.296 4.582 50 0 HJAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2nc3ccccc3nc2NC2CCCCC2)c1 ZINC000016956552 558810076 /nfs/dbraw/zinc/81/00/76/558810076.db2.gz DKSWXPLGHVAQQY-UHFFFAOYSA-N -1 0 410.543 4.792 50 0 HJAARM CC(C)Cn1nc([N-]S(=O)(=O)c2ccc(Cl)cc2)c2cc3ccccc3nc21 ZINC000016996502 558811352 /nfs/dbraw/zinc/81/13/52/558811352.db2.gz OQZQGPIWHSKTSI-UHFFFAOYSA-N -1 0 414.918 4.695 50 0 HJAARM Cc1ccc(-c2csc(NC(=O)CCCC(=O)[O-])c2C(=O)OC(C)C)c(C)c1 ZINC000017082676 558814924 /nfs/dbraw/zinc/81/49/24/558814924.db2.gz AROGRZKAOVSCFI-UHFFFAOYSA-N -1 0 403.500 4.791 50 0 HJAARM O=C([O-])[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1c1ccccc1 ZINC000039778398 558822570 /nfs/dbraw/zinc/82/25/70/558822570.db2.gz GHKDFAVPKIFJQB-XZOQPEGZSA-N -1 0 413.473 4.736 50 0 HJAARM Cc1ccc(S(=O)(=O)[N-]c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 ZINC000021151074 558842511 /nfs/dbraw/zinc/84/25/11/558842511.db2.gz YGQBGQWOIWIUOT-UHFFFAOYSA-N -1 0 401.491 4.920 50 0 HJAARM Cc1cc(C)cc(C[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)[C@H](C)C(=O)[O-])c1 ZINC000004689648 558899306 /nfs/dbraw/zinc/89/93/06/558899306.db2.gz LCZLECYRVQXITQ-KBXCAEBGSA-N -1 0 409.404 4.720 50 0 HJAARM COc1ccc([N-]S(=O)(=O)c2ccccc2-c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000033175600 558904956 /nfs/dbraw/zinc/90/49/56/558904956.db2.gz KSSPJEFBAJRWQZ-UHFFFAOYSA-N -1 0 421.478 4.521 50 0 HJAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)o2)cc1Cl ZINC000033263901 558966315 /nfs/dbraw/zinc/96/63/15/558966315.db2.gz ZRPUBQHBXMZVNI-UHFFFAOYSA-N -1 0 406.769 4.716 50 0 HJAARM Cc1cc(C)cc(-c2nc(-c3ccc([N-]S(=O)(=O)c4cccs4)cc3)no2)c1 ZINC000033276467 559036234 /nfs/dbraw/zinc/03/62/34/559036234.db2.gz GUGANKRRZNKPBK-UHFFFAOYSA-N -1 0 411.508 4.883 50 0 HJAARM CCN1C(=O)S/C(=C\c2ccc(OCc3cccc(C(=O)[O-])c3)c(Cl)c2)C1=O ZINC000033286800 559043702 /nfs/dbraw/zinc/04/37/02/559043702.db2.gz AUMVQWOFHPSZQJ-YVLHZVERSA-N -1 0 417.870 4.673 50 0 HJAARM O=C([O-])c1ccc(N2C(=O)c3n[nH]c(-c4ccccc4)c3[C@H]2c2ccc(F)cc2)cc1 ZINC000004928671 559208448 /nfs/dbraw/zinc/20/84/48/559208448.db2.gz JLYMUDGOIIEHMR-JOCHJYFZSA-N -1 0 413.408 4.664 50 0 HJAARM Nc1cc(C(F)(F)F)ccc1Oc1c(Cl)cc(Cl)cc1S(=O)(=O)[O-] ZINC000002165010 559275195 /nfs/dbraw/zinc/27/51/95/559275195.db2.gz OBQIQDHZHUZSNP-UHFFFAOYSA-N -1 0 402.177 4.633 50 0 HJAARM Cc1c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cccc1C(=O)[O-] ZINC000001160283 560727424 /nfs/dbraw/zinc/72/74/24/560727424.db2.gz TVXBRPGFQAXSST-UHFFFAOYSA-N -1 0 414.870 4.733 50 0 HJAARM COc1ccc(-c2c(C)[n-]n3c2nc(CSc2ccc(C)cc2)cc3=O)cc1OC ZINC000017879115 560729940 /nfs/dbraw/zinc/72/99/40/560729940.db2.gz AQYDSRKBACCSMB-UHFFFAOYSA-N -1 0 421.522 4.616 50 0 HJAARM Cc1cccc(NC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(F)cc5)nc-4c3c2)c1 ZINC000101828789 560802736 /nfs/dbraw/zinc/80/27/36/560802736.db2.gz AQEITSIQEALOEQ-UHFFFAOYSA-N -1 0 412.424 4.518 50 0 HJAARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1CC(=O)Nc1ccc(Cl)cc1 ZINC000101831166 560802919 /nfs/dbraw/zinc/80/29/19/560802919.db2.gz UIMLGDUMQKYXSY-UHFFFAOYSA-N -1 0 424.913 4.844 50 0 HJAARM COc1ccc([C@H]2CC(=O)C3C(=Nc4nonc4N[C@@H]3c3ccccc3F)C2)cc1 ZINC000102743248 560823823 /nfs/dbraw/zinc/82/38/23/560823823.db2.gz XFMNQLSYTOGMIV-ZUOKHONESA-N -1 0 406.417 4.846 50 0 HJAARM COc1ccc([C@H]2CC(=O)C3C(=Nc4nonc4N[C@H]3c3ccc(F)cc3)C2)cc1 ZINC000102739423 560824806 /nfs/dbraw/zinc/82/48/06/560824806.db2.gz KPKJPAXKIZJFDQ-VLIAUNLRSA-N -1 0 406.417 4.846 50 0 HJAARM CC(C)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000013679546 560825331 /nfs/dbraw/zinc/82/53/31/560825331.db2.gz HOZSZMYFVVSQBB-UHFFFAOYSA-N -1 0 400.525 4.925 50 0 HJAARM O=C1C[C@H](c2cccs2)CC2=Nc3nonc3N[C@H](c3ccc4c(c3)OCCO4)C12 ZINC000102750988 560825468 /nfs/dbraw/zinc/82/54/68/560825468.db2.gz OULKSYCWRVBARL-CWTRNNRKSA-N -1 0 422.466 4.531 50 0 HJAARM C[C@H]1CCCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(F)cc2)C1 ZINC000102894352 560833204 /nfs/dbraw/zinc/83/32/04/560833204.db2.gz DVIMSPQILAHPRU-SUMWQHHRSA-N -1 0 412.490 4.717 50 0 HJAARM C[C@@H]1CCC[C@H](NC(=O)CCCCCn2c(=O)c3ccccc3[n-]c2=S)[C@H]1C ZINC000104173326 560848987 /nfs/dbraw/zinc/84/89/87/560848987.db2.gz VTWXUZQHWIVEBV-RYRKJORJSA-N -1 0 401.576 4.560 50 0 HJAARM O=C([O-])CCC(=O)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 ZINC000004141008 560893138 /nfs/dbraw/zinc/89/31/38/560893138.db2.gz UIZUUVXQIBFHTF-WDPMDDHKSA-N -1 0 424.447 4.953 50 0 HJAARM CC1CCN([C@H](c2cccs2)c2sc3nc(-c4ccco4)nn3c2[O-])CC1 ZINC000022852565 568415580 /nfs/dbraw/zinc/41/55/80/568415580.db2.gz FENZKNZTVGUNDT-OAHLLOKOSA-N -1 0 400.529 4.639 50 0 HJAARM O=C([O-])c1cc(NC(=O)c2ccc(Br)cc2)ccc1N1CCCCCC1 ZINC000046053409 568425399 /nfs/dbraw/zinc/42/53/99/568425399.db2.gz VICLEWRABVHCOM-UHFFFAOYSA-N -1 0 417.303 4.780 50 0 HJAARM COc1ccc(C(=O)Nc2ccc(N3CC[C@@H](c4ccccc4)C3)c(C(=O)[O-])c2)cc1 ZINC000046053657 568425497 /nfs/dbraw/zinc/42/54/97/568425497.db2.gz FPKKMUHFPXFJJA-LJQANCHMSA-N -1 0 416.477 4.640 50 0 HJAARM Cc1nn(-c2cccc(Cl)c2)c2c1C(=C([O-])c1cc3ccccc3o1)CC(=O)N2 ZINC000046057877 568426382 /nfs/dbraw/zinc/42/63/82/568426382.db2.gz PPUFGBMITPZSDM-INIZCTEOSA-N -1 0 405.841 4.889 50 0 HJAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2onc(C)c2C)sc1C ZINC000096323559 568732180 /nfs/dbraw/zinc/73/21/80/568732180.db2.gz UZPDTTLDOQSLTP-UHFFFAOYSA-N -1 0 412.920 4.791 50 0 HJAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccccc2C(C)C)c1-c1nnc(C2CCC2)o1 ZINC000096379684 568741343 /nfs/dbraw/zinc/74/13/43/568741343.db2.gz PJABOUMYLALDRK-UHFFFAOYSA-N -1 0 414.531 4.873 50 0 HJAARM CC/N=C1\S/C(=C/c2ccc(-c3cc(Cl)ccc3C(=O)[O-])o2)C(=O)N1CC ZINC000096562497 568760397 /nfs/dbraw/zinc/76/03/97/568760397.db2.gz ZQCMFBNZOIEYTH-JSDDMWTDSA-N -1 0 404.875 4.610 50 0 HJAARM CCOc1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1 ZINC000002479159 568774180 /nfs/dbraw/zinc/77/41/80/568774180.db2.gz PQXVQPSXXHAYFM-UHFFFAOYSA-N -1 0 420.494 4.573 50 0 HJAARM CCOC(=O)c1cnc2c(C(=O)[O-])cccc2c1Nc1ccc(N(CC)CC)cc1 ZINC000055408431 568774307 /nfs/dbraw/zinc/77/43/07/568774307.db2.gz RTKJGMVHRRJNAF-UHFFFAOYSA-N -1 0 407.470 4.700 50 0 HJAARM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000002767571 568807637 /nfs/dbraw/zinc/80/76/37/568807637.db2.gz YVDZWOVTGYHEIH-UHFFFAOYSA-N -1 0 410.326 4.656 50 0 HJAARM Cc1nn(Cc2cccc(C(F)(F)F)c2)c(C)c1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000002792424 568810101 /nfs/dbraw/zinc/81/01/01/568810101.db2.gz STRFSSALQCHBDS-UHFFFAOYSA-N -1 0 423.460 4.676 50 0 HJAARM O=S(=O)([N-]c1nc2ccccc2nc1NC1CCCC1)c1ccc(Cl)s1 ZINC000003289813 568852510 /nfs/dbraw/zinc/85/25/10/568852510.db2.gz RJZVDQFWJKCEBB-UHFFFAOYSA-N -1 0 408.936 4.500 50 0 HJAARM CC(C)n1c(/C=C/[C@@H](O)C[C@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c2ccccc21 ZINC000003830863 568933630 /nfs/dbraw/zinc/93/36/30/568933630.db2.gz FJLGEFLZQAZZCD-VVZAMHAXSA-N -1 0 411.473 4.628 50 0 in-man HJAARM O=C([O-])[C@@H](CCc1ccc(F)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095749088 568936217 /nfs/dbraw/zinc/93/62/17/568936217.db2.gz KUXCZWSGUCCUBR-HSZRJFAPSA-N -1 0 419.452 4.750 50 0 HJAARM O=C([O-])c1cc(-c2ccc(Br)cc2)nc2n[nH]c(-c3ccc(F)cc3)c21 ZINC000015677198 568965209 /nfs/dbraw/zinc/96/52/09/568965209.db2.gz RCSCYIIZROWMNZ-UHFFFAOYSA-N -1 0 412.218 4.892 50 0 HJAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cc(-c3cc(C)no3)sc2C)c1 ZINC000085651099 569005835 /nfs/dbraw/zinc/00/58/35/569005835.db2.gz MQLWWLRRYDUVJN-UHFFFAOYSA-N -1 0 422.528 4.618 50 0 HJAARM COC(=O)C[C@H](c1ccccc1)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000085877948 569009654 /nfs/dbraw/zinc/00/96/54/569009654.db2.gz OTSDTXFYHDCDNR-LJQANCHMSA-N -1 0 416.429 4.566 50 0 biogenic HJAARM O=c1c2cc(F)c(Cl)cc2[n-]cc1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000015829473 569011820 /nfs/dbraw/zinc/01/18/20/569011820.db2.gz UAKOUTMZZYYWTR-UHFFFAOYSA-N -1 0 406.649 4.873 50 0 HJAARM Cc1n[nH]c(SC(=Cc2cccc(OCc3ccc(Cl)cc3)c2)C(=O)[O-])n1 ZINC000006129889 569014104 /nfs/dbraw/zinc/01/41/04/569014104.db2.gz NOQPIWMLWXNCMA-YVLHZVERSA-N -1 0 401.875 4.563 50 0 HJAARM O=C(c1ccc2c(=O)[nH]c(=S)[n-]c2c1)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000063809218 569016876 /nfs/dbraw/zinc/01/68/76/569016876.db2.gz XMEPSLZGJVZJGC-UHFFFAOYSA-N -1 0 403.866 4.595 50 0 HJAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1nc2ccccc2nc1Nc1ccccc1 ZINC000006373275 569045311 /nfs/dbraw/zinc/04/53/11/569045311.db2.gz UHGYKCSQTXXRHX-UHFFFAOYSA-N -1 0 408.458 4.622 50 0 HJAARM COc1ccc(-c2cc(=O)oc3cc(O[C@@H](C(=O)[O-])c4ccccc4)ccc32)cc1 ZINC000001184842 569060328 /nfs/dbraw/zinc/06/03/28/569060328.db2.gz IENVCDYNUUMBRI-HSZRJFAPSA-N -1 0 402.402 4.673 50 0 biogenic HJAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(-c2csc(C)n2)ccc1OC ZINC000064670089 569079050 /nfs/dbraw/zinc/07/90/50/569079050.db2.gz UINZGKCGCYNYCI-UHFFFAOYSA-N -1 0 402.541 4.799 50 0 HJAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3nc(SC(C)C)sc3c2)c1 ZINC000064747835 569089158 /nfs/dbraw/zinc/08/91/58/569089158.db2.gz OVBWUPDEZUKSBR-UHFFFAOYSA-N -1 0 424.569 4.615 50 0 HJAARM CCOc1cc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)ccc1O ZINC000064795305 569096135 /nfs/dbraw/zinc/09/61/35/569096135.db2.gz FAYZSFSAGUYLOE-CQSZACIVSA-N -1 0 409.463 4.692 50 0 HJAARM CCN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1NC(=O)c1ccc(OC)cc1 ZINC000064820658 569102665 /nfs/dbraw/zinc/10/26/65/569102665.db2.gz TULRBJXJPLQBDY-UHFFFAOYSA-N -1 0 404.466 4.672 50 0 HJAARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)s2)c1C ZINC000065031372 569157350 /nfs/dbraw/zinc/15/73/50/569157350.db2.gz CUUJIQLXSZIBLK-UHFFFAOYSA-N -1 0 418.418 4.719 50 0 HJAARM Cc1ccc([N-]S(=O)(=O)c2cc(-c3nc(-c4cccc(F)c4)no3)cs2)cc1 ZINC000065098128 569177007 /nfs/dbraw/zinc/17/70/07/569177007.db2.gz VGUHAXHVCRQKLL-UHFFFAOYSA-N -1 0 415.471 4.713 50 0 HJAARM CCc1nc2c3ccccc3oc2c(N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])n1 ZINC000006960980 569190766 /nfs/dbraw/zinc/19/07/66/569190766.db2.gz JDZMPZXPUIBOHN-QGZVFWFLSA-N -1 0 400.438 4.528 50 0 HJAARM Cc1cn2c(nc(C(C)C)c2S(=O)(=O)[N-]c2ccccc2C(F)(F)F)s1 ZINC000065183490 569190992 /nfs/dbraw/zinc/19/09/92/569190992.db2.gz HREIGVNJYXSZPP-UHFFFAOYSA-N -1 0 403.451 4.647 50 0 HJAARM Cc1nn(-c2ccccc2)c2[n-]cc(C(=O)Nc3cccc(Cl)c3Cl)c(=O)c12 ZINC000007424045 569237999 /nfs/dbraw/zinc/23/79/99/569237999.db2.gz DNTJNEDKFIFFFO-UHFFFAOYSA-N -1 0 413.264 4.581 50 0 HJAARM O=C([O-])CN(CCc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000222449880 569277657 /nfs/dbraw/zinc/27/76/57/569277657.db2.gz LFQGEVARORMAGZ-UHFFFAOYSA-N -1 0 401.462 4.565 50 0 HJAARM O=C([O-])[C@H](CCc1ccc(F)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095749089 569281914 /nfs/dbraw/zinc/28/19/14/569281914.db2.gz KUXCZWSGUCCUBR-QHCPKHFHSA-N -1 0 419.452 4.750 50 0 HJAARM O=S(=O)([N-]c1ccc(-c2csc(Nc3cccnc3)n2)cc1)c1cccs1 ZINC000208006127 569286885 /nfs/dbraw/zinc/28/68/85/569286885.db2.gz WBASUEZUOHUGFW-UHFFFAOYSA-N -1 0 414.537 4.811 50 0 HJAARM CCCCn1c(=O)c(C(=O)Nc2ccc(Br)cc2)c([O-])c2ccccc21 ZINC000002275040 569327774 /nfs/dbraw/zinc/32/77/74/569327774.db2.gz MHBFIWOOQIYBLJ-UHFFFAOYSA-N -1 0 415.287 4.522 50 0 HJAARM COc1cccc(-c2nc3ccccc3c(Oc3cccc(NC(C)=O)c3)n2)c1[O-] ZINC000002326013 569375333 /nfs/dbraw/zinc/37/53/33/569375333.db2.gz SJRFNJPITNTMGE-UHFFFAOYSA-N -1 0 401.422 4.762 50 0 HJAARM Cc1cc(C)cc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000002396553 569394500 /nfs/dbraw/zinc/39/45/00/569394500.db2.gz FKEBZHJLRYWZFJ-UHFFFAOYSA-N -1 0 422.485 4.930 50 0 HJAARM CCOC(=O)c1ccc(Oc2nc(-c3cccc(OC)c3[O-])nc3ccccc32)cc1 ZINC000002434036 569399280 /nfs/dbraw/zinc/39/92/80/569399280.db2.gz VMDAIGPVMKEXHJ-UHFFFAOYSA-N -1 0 416.433 4.980 50 0 HJAARM O=C1Nc2cc(Cl)ccc2Oc2ccc([N-]S(=O)(=O)c3cccs3)cc21 ZINC000008961363 571189792 /nfs/dbraw/zinc/18/97/92/571189792.db2.gz XTRIENDKRLOAGX-UHFFFAOYSA-N -1 0 406.872 4.560 50 0 HJAARM O=C([O-])C[C@H](Cc1nc2ccccc2[nH]1)c1ccccc1OC(=O)c1ccccc1 ZINC000009517190 571265242 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420.472 4.942 50 0 HJAARM C[C@](CNC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)[O-])c1ccc(F)cc1 ZINC000685939409 571314076 /nfs/dbraw/zinc/31/40/76/571314076.db2.gz VGWFXZCESISYMG-RUZDIDTESA-N -1 0 419.452 4.707 50 0 HJAARM Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCCCCC3)c(C(=O)[O-])c2)c(C)c1 ZINC000032962180 525605338 /nfs/dbraw/zinc/60/53/38/525605338.db2.gz RGHXHQODRCMHNP-UHFFFAOYSA-N -1 0 416.543 4.573 50 0 HJAARM C[C@@](Cc1ccccc1F)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000044460271 525743924 /nfs/dbraw/zinc/74/39/24/525743924.db2.gz VNYGHKCAXQKZEQ-VWLOTQADSA-N -1 0 419.452 4.750 50 0 HJAARM O=C([O-])[C@@]12C[C@@H](Nc3n[nH]c(-c4ccc(Cl)cc4)c31)c1cc(Cl)ccc1O2 ZINC000072332297 526299252 /nfs/dbraw/zinc/29/92/52/526299252.db2.gz CHYLFDZWTGQCJQ-BFUOFWGJSA-N -1 0 402.237 4.613 50 0 HJAARM O=C([O-])c1cc(/C=C/c2cccc(NC(=O)C(F)(F)F)c2)nc2cc(F)ccc21 ZINC000031855874 526342251 /nfs/dbraw/zinc/34/22/51/526342251.db2.gz KAEWTZCTZJAWRV-GQCTYLIASA-N -1 0 404.319 4.743 50 0 HJAARM O=S(=O)([N-]c1ccc2[nH]c([C@H]3CCCO3)nc2c1)c1cc(Cl)ccc1Cl ZINC000044892157 527251781 /nfs/dbraw/zinc/25/17/81/527251781.db2.gz FFTOAGUSWOPZDF-OAHLLOKOSA-N -1 0 412.298 4.522 50 0 HJAARM COc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)ccc1OCC(=O)[O-] ZINC000000850306 557100722 /nfs/dbraw/zinc/10/07/22/557100722.db2.gz CQOBLMRYNHQZSW-UHFFFAOYSA-N -1 0 400.434 4.883 50 0 HJAARM C[C@H](Oc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccc(Cl)cc1)c2=O)C(=O)[O-] ZINC000000956369 557126371 /nfs/dbraw/zinc/12/63/71/557126371.db2.gz YPROHFBQSFVDGY-VIFPVBQESA-N -1 0 412.747 4.984 50 0 HJAARM COc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)cn2)cc1 ZINC000001023823 557144369 /nfs/dbraw/zinc/14/43/69/557144369.db2.gz MXZMJSRCAOBFIM-UHFFFAOYSA-N -1 0 424.400 4.702 50 0 HJAARM CCOC(=O)c1c([N-]S(=O)(=O)c2ccc(F)cc2)sc(C)c1-c1ccccc1 ZINC000001025493 557145094 /nfs/dbraw/zinc/14/50/94/557145094.db2.gz CJWXGEZFGWOFSX-UHFFFAOYSA-N -1 0 419.499 4.840 50 0 HJAARM COC(=O)c1sc(-c2cccs2)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000001027848 557145641 /nfs/dbraw/zinc/14/56/41/557145641.db2.gz ZHIBPYLPGLBQFS-UHFFFAOYSA-N -1 0 413.929 4.717 50 0 HJAARM CC(C)c1ccc(S(=O)(=O)[N-]c2ncccc2OCc2cc(F)cc(F)c2)cc1 ZINC000001043451 557154892 /nfs/dbraw/zinc/15/48/92/557154892.db2.gz HAZLTIUROMCAPT-UHFFFAOYSA-N -1 0 418.465 4.863 50 0 HJAARM COc1cccc([C@H](CC(=O)[O-])NC(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC000002585868 557358561 /nfs/dbraw/zinc/35/85/61/557358561.db2.gz SOJXDPVBOJLSIA-QHCPKHFHSA-N -1 0 417.461 4.750 50 0 HJAARM CCc1cccc2c([C@H](CC(=O)c3ccc(Br)cc3)C(=O)[O-])c[nH]c21 ZINC000003108038 557447547 /nfs/dbraw/zinc/44/75/47/557447547.db2.gz KLXYVIOGRJNDNV-INIZCTEOSA-N -1 0 400.272 4.934 50 0 HJAARM CC(C)OC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000003864275 557501608 /nfs/dbraw/zinc/50/16/08/557501608.db2.gz IDLBJAWSPQZDTF-HOTGVXAUSA-N -1 0 415.511 4.810 50 0 HJAARM Cc1ccc2c(C)nc([N-]c3ncc4c(n3)C[C@H](c3ccc(F)cc3)CC4=O)nc2c1 ZINC000004488273 557559019 /nfs/dbraw/zinc/55/90/19/557559019.db2.gz 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O=c1nc(CSc2nc(C3CCCCC3)n(-c3ccccc3)n2)[n-]c2ccsc21 ZINC000013116075 558516231 /nfs/dbraw/zinc/51/62/31/558516231.db2.gz XBIRCKMPNBKLMW-UHFFFAOYSA-N -1 0 423.567 4.905 50 0 HJAARM Cc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000013265340 558528113 /nfs/dbraw/zinc/52/81/13/558528113.db2.gz MEVXCEBVXXLDGS-OAQYLSRUSA-N -1 0 401.528 4.537 50 0 HJAARM O=C(Nc1ccccc1[N-]S(=O)(=O)c1cccs1)c1cc(Cl)ccc1F ZINC000023172683 558540189 /nfs/dbraw/zinc/54/01/89/558540189.db2.gz GKQCVPXVEHRSPN-UHFFFAOYSA-N -1 0 410.879 4.594 50 0 HJAARM Cc1cc(C)cc(Oc2c(=O)c3ccc(OCC(=O)[O-])cc3oc2C(F)(F)F)c1 ZINC000000956366 558774783 /nfs/dbraw/zinc/77/47/83/558774783.db2.gz WQLAMMJZVNGEKU-UHFFFAOYSA-N -1 0 408.328 4.684 50 0 HJAARM CSc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(F)cc2)cc1 ZINC000001141312 558775550 /nfs/dbraw/zinc/77/55/50/558775550.db2.gz HIGJSYWGARQPLL-UHFFFAOYSA-N -1 0 416.499 4.601 50 0 HJAARM CCCCn1nc([N-]S(=O)(=O)c2ccc(OC)cc2)c2cc3cccc(C)c3nc21 ZINC000016956987 558810262 /nfs/dbraw/zinc/81/02/62/558810262.db2.gz BXANWYCYHMQGJE-UHFFFAOYSA-N -1 0 424.526 4.502 50 0 HJAARM Cc1ccc(S(=O)(=O)[N-]c2nn(CC(C)C)c3nc4ccc(C)cc4cc23)cc1 ZINC000016993916 558811067 /nfs/dbraw/zinc/81/10/67/558811067.db2.gz MWRZMGJDMQSBPK-UHFFFAOYSA-N -1 0 408.527 4.658 50 0 HJAARM CCc1c(C)sc(NC(=O)CCCC(=O)[O-])c1C(=O)Nc1cccc(Cl)c1 ZINC000017088135 558817039 /nfs/dbraw/zinc/81/70/39/558817039.db2.gz RJGKOZUKLFWKPA-UHFFFAOYSA-N -1 0 408.907 4.718 50 0 HJAARM CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)C[C@H](C)CC(=O)[O-])c2C(=O)OC)C1 ZINC000017088322 558817170 /nfs/dbraw/zinc/81/71/70/558817170.db2.gz OCYUETVFUZNGMC-STQMWFEESA-N -1 0 409.548 4.515 50 0 HJAARM CC[C@H]1CCc2c(sc(NC(=O)CCCC(=O)[O-])c2C(=O)Nc2ccccc2)C1 ZINC000017090021 558818576 /nfs/dbraw/zinc/81/85/76/558818576.db2.gz MNSUPMPKCFXPAN-AWEZNQCLSA-N -1 0 414.527 4.709 50 0 HJAARM O=C([O-])CC1(CC(=O)Nc2nc(-c3cccc(Br)c3)cs2)CCCC1 ZINC000017093480 558821954 /nfs/dbraw/zinc/82/19/54/558821954.db2.gz VDNKVJSIRMGSCX-UHFFFAOYSA-N -1 0 423.332 4.936 50 0 HJAARM CCCN(CCC)c1ccc(NS(=O)(=O)c2cccc(Cl)c2C)cc1C(=O)[O-] ZINC000033253510 558921699 /nfs/dbraw/zinc/92/16/99/558921699.db2.gz ONMSTIQTVHCAOK-UHFFFAOYSA-N -1 0 424.950 4.774 50 0 HJAARM CCOc1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000072414485 558978101 /nfs/dbraw/zinc/97/81/01/558978101.db2.gz PNJFAMATYXHILB-UHFFFAOYSA-N -1 0 403.312 4.803 50 0 HJAARM Cc1ccc(NC(=O)c2nc(C(F)(F)F)[n-]c2C(=O)Nc2ccc(C)cc2)cc1 ZINC000072424476 558978694 /nfs/dbraw/zinc/97/86/94/558978694.db2.gz KYQQPGPCCXGRGA-UHFFFAOYSA-N -1 0 402.376 4.550 50 0 HJAARM O=S(=O)([N-]c1ccc(-c2noc(C3(c4ccccc4)CC3)n2)cc1)c1cccs1 ZINC000033276475 559036192 /nfs/dbraw/zinc/03/61/92/559036192.db2.gz ZVEAORBXGJRUPG-UHFFFAOYSA-N -1 0 423.519 4.679 50 0 HJAARM Cc1nn(-c2ccccc2)c2nc(-c3ccc(Br)cc3)cc(C(=O)[O-])c12 ZINC000072333492 559179371 /nfs/dbraw/zinc/17/93/71/559179371.db2.gz MLSRUUGCLMWBTN-UHFFFAOYSA-N -1 0 408.255 4.857 50 0 HJAARM O=C([O-])c1ccc(N2C(=O)c3n[nH]c(-c4ccccc4)c3[C@H]2c2ccccc2F)cc1 ZINC000004928675 559208370 /nfs/dbraw/zinc/20/83/70/559208370.db2.gz HVXOGVNAMZQMGT-JOCHJYFZSA-N -1 0 413.408 4.664 50 0 HJAARM Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccccc2F)c1 ZINC000017248524 560705020 /nfs/dbraw/zinc/70/50/20/560705020.db2.gz KBSSYFVVWBLYSM-UHFFFAOYSA-N -1 0 408.458 4.622 50 0 HJAARM O=S(=O)([N-]c1ccccc1-c1csc(-c2ccccc2F)n1)c1cccnc1 ZINC000206909826 560749194 /nfs/dbraw/zinc/74/91/94/560749194.db2.gz YTFUXYSIFUJHFS-UHFFFAOYSA-N -1 0 411.483 4.812 50 0 HJAARM O=C([O-])[C@@H](CCNC(=O)OCC1c2ccccc2-c2ccccc21)Cc1ccccc1 ZINC000207072947 560756837 /nfs/dbraw/zinc/75/68/37/560756837.db2.gz QVCCAJUDBGIACW-IBGZPJMESA-N -1 0 415.489 4.859 50 0 HJAARM O=C([O-])CN(Cc1cccc(F)c1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000309574205 560770448 /nfs/dbraw/zinc/77/04/48/560770448.db2.gz GDDIDFBLYPFWRC-UHFFFAOYSA-N -1 0 405.425 4.661 50 0 HJAARM Cc1cccc(-c2nnc(SCC(=O)c3ccc(O)cc3O)n2-c2ccccc2)c1 ZINC000005701473 560797044 /nfs/dbraw/zinc/79/70/44/560797044.db2.gz FOQWKVMCOFTWKT-UHFFFAOYSA-N -1 0 417.490 4.629 50 0 HJAARM CCc1ccc([C@H]2c3c(=O)nc4[n-]c(C)nn4c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000102542393 560814475 /nfs/dbraw/zinc/81/44/75/560814475.db2.gz BIMBWASQKQHJLV-QGZVFWFLSA-N -1 0 403.486 4.551 50 0 HJAARM CC(C)OC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CCCC(=O)[O-] ZINC000005727278 560854490 /nfs/dbraw/zinc/85/44/90/560854490.db2.gz COQZSGFBOHTWJY-UHFFFAOYSA-N -1 0 409.891 4.827 50 0 HJAARM C[C@@H]1CCCN([C@@H](c2cccs2)c2sc3nc(-c4ccco4)nn3c2[O-])C1 ZINC000022852559 568415575 /nfs/dbraw/zinc/41/55/75/568415575.db2.gz RMHJLCAYZVGRSG-DOMZBBRYSA-N -1 0 400.529 4.639 50 0 HJAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccc(Cl)cc3Cl)C2)cc1 ZINC000009363775 568415602 /nfs/dbraw/zinc/41/56/02/568415602.db2.gz LLRALJXJPWATKY-SFHVURJKSA-N -1 0 421.280 4.545 50 0 HJAARM O=C([O-])[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000000754798 568471957 /nfs/dbraw/zinc/47/19/57/568471957.db2.gz PODMPRCLQNOLFB-QZNJRLLKSA-N -1 0 403.865 4.887 50 0 HJAARM COc1ccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(Br)cc3)n2)cc1 ZINC000020492101 568614905 /nfs/dbraw/zinc/61/49/05/568614905.db2.gz OWIIGPIYNUNJOW-UHFFFAOYSA-N -1 0 424.254 4.761 50 0 HJAARM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)c1 ZINC000020977696 568653896 /nfs/dbraw/zinc/65/38/96/568653896.db2.gz FDFPKRXHKVZGHH-UHFFFAOYSA-N -1 0 402.419 4.840 50 0 HJAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)c2cc3c(s2)-c2ccccc2CC3)CC1 ZINC000095956902 568669564 /nfs/dbraw/zinc/66/95/64/568669564.db2.gz ZVFQBDIHOGGSLB-UHFFFAOYSA-N -1 0 417.530 4.772 50 0 HJAARM Cc1[n-]n2c(nc(C)c(CCC(=O)Nc3ccc(Cl)cc3)c2=O)c1-c1ccccc1 ZINC000012389928 568693716 /nfs/dbraw/zinc/69/37/16/568693716.db2.gz AYFGCEAHRSHBCC-UHFFFAOYSA-N -1 0 420.900 4.531 50 0 HJAARM CCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000012414877 568717299 /nfs/dbraw/zinc/71/72/99/568717299.db2.gz QJLWSYPCLPTPDA-UHFFFAOYSA-N -1 0 419.499 4.840 50 0 HJAARM Cc1cc(-c2nnc([N-]c3ccn(Cc4ccccc4Cl)n3)s2)nn1C(F)F ZINC000002731414 568804802 /nfs/dbraw/zinc/80/48/02/568804802.db2.gz SFASRHYPAPWYAH-UHFFFAOYSA-N -1 0 421.864 4.747 50 0 HJAARM CCCCCn1c(=O)c2ccc(C(=O)Nc3ccc(OCC)cc3)cc2[n-]c1=S ZINC000003631156 568865207 /nfs/dbraw/zinc/86/52/07/568865207.db2.gz MVXMXZUGLVZIHY-UHFFFAOYSA-N -1 0 411.527 4.900 50 0 HJAARM Cc1ccccc1NC(=O)C(=Cc1ccc(C(=O)[O-])cc1)C(=O)Nc1ccccc1C ZINC000003308748 568877740 /nfs/dbraw/zinc/87/77/40/568877740.db2.gz DHMMTAZAWKUGIL-UHFFFAOYSA-N -1 0 414.461 4.662 50 0 HJAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccccc1C(C)(C)C ZINC000003397402 568895717 /nfs/dbraw/zinc/89/57/17/568895717.db2.gz PEMOQDFKKHXSMI-UHFFFAOYSA-N -1 0 412.349 4.946 50 0 HJAARM COc1cc([C@@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3ccccc3S2)ccc1O ZINC000005441652 568906887 /nfs/dbraw/zinc/90/68/87/568906887.db2.gz LEFSSOXXUTTWQA-FQEVSTJZSA-N -1 0 409.463 4.726 50 0 biogenic HJAARM Cc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3cc4ccccc4nc3Cl)C2)cc1 ZINC000004171954 568948301 /nfs/dbraw/zinc/94/83/01/568948301.db2.gz GLZGQAMTTTWYAC-FQEVSTJZSA-N -1 0 421.884 4.739 50 0 HJAARM CCCCn1c2ccc(C(F)(F)F)cc2nc1-c1ccc(OCC(=O)[O-])c(OC)c1 ZINC000012810327 568984562 /nfs/dbraw/zinc/98/45/62/568984562.db2.gz IMPRWZGRMAKJPR-UHFFFAOYSA-N -1 0 422.403 4.994 50 0 HJAARM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1 ZINC000085664612 569006483 /nfs/dbraw/zinc/00/64/83/569006483.db2.gz KIWPUORWMLPYAK-UHFFFAOYSA-N -1 0 407.826 4.611 50 0 HJAARM CCc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1 ZINC000085664634 569006627 /nfs/dbraw/zinc/00/66/27/569006627.db2.gz PCWKYXFKBROGBV-UHFFFAOYSA-N -1 0 401.435 4.520 50 0 HJAARM O=S(=O)([N-]c1cccc(Cl)c1)c1cc(-c2noc(C3CCCC3)n2)cs1 ZINC000035557354 569044744 /nfs/dbraw/zinc/04/47/44/569044744.db2.gz LZWXIYZARSVBGD-UHFFFAOYSA-N -1 0 409.920 4.910 50 0 HJAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N2c3ccccc3C[C@H]2C)c1 ZINC000006707708 569095432 /nfs/dbraw/zinc/09/54/32/569095432.db2.gz FZXHPQAAWVODAQ-GOSISDBHSA-N -1 0 420.534 4.696 50 0 HJAARM COc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(C)cc2)cc1O ZINC000064796135 569096475 /nfs/dbraw/zinc/09/64/75/569096475.db2.gz DDOJJXIPQCUWIL-AWEZNQCLSA-N -1 0 409.463 4.610 50 0 HJAARM CCOc1ccccc1[C@@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccc(OC)cc1 ZINC000064796710 569096500 /nfs/dbraw/zinc/09/65/00/569096500.db2.gz OOSCNUWIDGTNHS-INIZCTEOSA-N -1 0 423.490 4.995 50 0 HJAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2cccc(OC)c2)CC(=O)N3)cc1 ZINC000064796751 569096778 /nfs/dbraw/zinc/09/67/78/569096778.db2.gz JXDMBQZYFMREBX-INIZCTEOSA-N -1 0 409.463 4.605 50 0 HJAARM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000065060293 569164042 /nfs/dbraw/zinc/16/40/42/569164042.db2.gz JOSKIGJDBLBVQU-UHFFFAOYSA-N -1 0 410.467 4.596 50 0 HJAARM CCOc1ccc(-n2c(-c3ccc(OC(F)F)c(OCC)c3)n[n-]c2=S)cc1 ZINC000006910670 569178901 /nfs/dbraw/zinc/17/89/01/569178901.db2.gz WNZKCHUNEPQXLD-UHFFFAOYSA-N -1 0 407.442 4.996 50 0 HJAARM COC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000006913973 569179770 /nfs/dbraw/zinc/17/97/70/569179770.db2.gz NIXBWVLCPFINEY-UHFFFAOYSA-N -1 0 401.509 4.619 50 0 HJAARM O=C(Nc1ccc(Cl)c(Cl)c1)c1c(=O)[nH]c2sc3c(c2c1[O-])CCCC3 ZINC000065150346 569184851 /nfs/dbraw/zinc/18/48/51/569184851.db2.gz NLYRETCVRQQTDF-UHFFFAOYSA-N -1 0 409.294 4.733 50 0 HJAARM COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C ZINC000007005208 569198535 /nfs/dbraw/zinc/19/85/35/569198535.db2.gz BJASZANPSGKNPM-UHFFFAOYSA-N -1 0 406.891 4.730 50 0 HJAARM Cc1ccc(-c2cc(C(=O)[O-])c3c(=O)[nH]c(=S)n(-c4cccc(C)c4C)c3n2)cc1 ZINC000036617283 569208293 /nfs/dbraw/zinc/20/82/93/569208293.db2.gz ATJNZQHOOJCKKO-UHFFFAOYSA-N -1 0 417.490 4.734 50 0 HJAARM O=C([O-])C[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 ZINC000253188600 569363684 /nfs/dbraw/zinc/36/36/84/569363684.db2.gz XALWLSKRFCZNFL-GOSISDBHSA-N -1 0 401.462 4.784 50 0 HJAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)c1 ZINC000008602216 571090856 /nfs/dbraw/zinc/09/08/56/571090856.db2.gz SIMLXZYTZAGFDE-UHFFFAOYSA-N -1 0 416.499 4.557 50 0 HJAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])C(=Cc2cc3ccccc3[nH]c2=O)C1 ZINC000069510518 571228761 /nfs/dbraw/zinc/22/87/61/571228761.db2.gz AZOGSSXZPDWCKN-ATVHPVEESA-N -1 0 411.461 4.563 50 0 HJAARM CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000009645873 571276249 /nfs/dbraw/zinc/27/62/49/571276249.db2.gz DEYUDXMDGOZSJE-UHFFFAOYSA-N -1 0 401.509 4.701 50 0 HJAARM CCOC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1cccc(C)c1C ZINC000009646486 571276384 /nfs/dbraw/zinc/27/63/84/571276384.db2.gz QYQZBUAXMTVLOT-UHFFFAOYSA-N -1 0 407.488 4.635 50 0 HJAARM Cc1ccc(C[C@@H](C(=O)[O-])[C@H](C)C(=O)Nc2ccc(C)c(Br)c2)cc1 ZINC000071405935 571293920 /nfs/dbraw/zinc/29/39/20/571293920.db2.gz QGIOWNHMLJCGGK-WMLDXEAASA-N -1 0 404.304 4.584 50 0 HJAARM Cc1cc(C)cc(C[C@@H](C(=O)[O-])[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000071405980 571293973 /nfs/dbraw/zinc/29/39/73/571293973.db2.gz CSJXHFTXPSCDFE-RDTXWAMCSA-N -1 0 409.404 4.720 50 0 HJAARM Cc1nn(-c2ccccc2)c(Cl)c1/C=C\C(=O)c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000096765680 527545503 /nfs/dbraw/zinc/54/55/03/527545503.db2.gz VQHHYEIWFTYVSK-LLNWESEBSA-N -1 0 410.857 4.582 50 0 HJAARM O=C(Nc1ccc(Cl)cc1)c1cc(Br)cc(Br)c1[O-] ZINC000000762947 557077388 /nfs/dbraw/zinc/07/73/88/557077388.db2.gz YVVILFKWXBZXAA-UHFFFAOYSA-N -1 0 405.473 4.823 50 0 HJAARM Cc1c(Cl)cccc1NC(=O)[C@H](CC(=O)[O-])Cc1ccc(Br)cc1 ZINC000000985970 557132146 /nfs/dbraw/zinc/13/21/46/557132146.db2.gz AUVBUFDKWOZIFH-ZDUSSCGKSA-N -1 0 410.695 4.683 50 0 HJAARM CC(C)(C)c1ccc(-c2cc([N-]S(=O)(=O)c3ccccc3)c(C(N)=O)s2)cc1 ZINC000001027772 557145553 /nfs/dbraw/zinc/14/55/53/557145553.db2.gz SIBQSUMQVXYJMB-UHFFFAOYSA-N -1 0 414.552 4.612 50 0 HJAARM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC2CCCCC2)ccc1Cl ZINC000001050650 557159796 /nfs/dbraw/zinc/15/97/96/557159796.db2.gz MXAIDNZQUOEIJY-UHFFFAOYSA-N -1 0 406.935 4.512 50 0 HJAARM Cc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000001072618 557170613 /nfs/dbraw/zinc/17/06/13/557170613.db2.gz PAVKHEAAFANCGV-UHFFFAOYSA-N -1 0 400.887 4.702 50 0 HJAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC3CCCCC3)ccc2Cl)cc1C ZINC000001111014 557183450 /nfs/dbraw/zinc/18/34/50/557183450.db2.gz KILXRDZCIPLUKN-UHFFFAOYSA-N -1 0 420.962 4.820 50 0 HJAARM O=S(=O)([N-]c1nc2ccccc2nc1NC1CCCCC1)c1ccc(Cl)cc1 ZINC000001156938 557214978 /nfs/dbraw/zinc/21/49/78/557214978.db2.gz HUMVKLZKBIUOGB-UHFFFAOYSA-N -1 0 416.934 4.829 50 0 HJAARM O=S(=O)([N-]c1nc2ccccc2nc1NCc1ccc(Cl)cc1)c1ccccc1 ZINC000001158281 557215998 /nfs/dbraw/zinc/21/59/98/557215998.db2.gz BKXIVJDOKGCBJF-UHFFFAOYSA-N -1 0 424.913 4.696 50 0 HJAARM O=C([O-])C[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002386925 557343124 /nfs/dbraw/zinc/34/31/24/557343124.db2.gz DQNUGHJJKNFCND-SFHVURJKSA-N -1 0 401.462 4.611 50 0 HJAARM O=C([O-])c1ccccc1N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000004119338 557516245 /nfs/dbraw/zinc/51/62/45/557516245.db2.gz GSRKUYXYRORCEE-UHFFFAOYSA-N -1 0 405.020 4.799 50 0 HJAARM Cc1ccccc1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000004208800 557528852 /nfs/dbraw/zinc/52/88/52/557528852.db2.gz GYFMRMRGTNDDAT-QHCPKHFHSA-N -1 0 401.462 4.529 50 0 HJAARM C[C@@H](c1ccccc1)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000005721818 557670796 /nfs/dbraw/zinc/67/07/96/557670796.db2.gz ZQWJZRLWGALBIQ-QMHKHESXSA-N -1 0 401.462 4.782 50 0 HJAARM CCc1nc2sc([C@@H](c3cccc(C(F)(F)F)c3)N3CCCCC3)c([O-])n2n1 ZINC000022853107 557840017 /nfs/dbraw/zinc/84/00/17/557840017.db2.gz BOSWVKSOYRPYLT-OAHLLOKOSA-N -1 0 410.465 4.653 50 0 HJAARM CCc1nc2sc([C@H](c3ccco3)N3CCC(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022853862 557840403 /nfs/dbraw/zinc/84/04/03/557840403.db2.gz RSSOWUKWXFXZRB-FQEVSTJZSA-N -1 0 422.554 4.696 50 0 HJAARM CCc1nc2sc([C@@H](c3cccc(C)c3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000022855067 557842027 /nfs/dbraw/zinc/84/20/27/557842027.db2.gz CWUAYUDHTRQKNA-HXUWFJFHSA-N -1 0 404.539 4.515 50 0 HJAARM COc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)c(OC)c1 ZINC000012419999 558403427 /nfs/dbraw/zinc/40/34/27/558403427.db2.gz AUEJSMWFSMIQKH-HNNXBMFYSA-N -1 0 409.463 4.605 50 0 HJAARM O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(C2CCCCC2)cc1)c1ccc(Cl)cc1 ZINC000013265161 558528128 /nfs/dbraw/zinc/52/81/28/558528128.db2.gz VEFMXTRPSDXTMK-HXUWFJFHSA-N -1 0 421.946 4.882 50 0 HJAARM O=C([O-])CCC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000013381979 558531157 /nfs/dbraw/zinc/53/11/57/558531157.db2.gz VDZRKRSWBVOELZ-UHFFFAOYSA-N -1 0 415.660 4.702 50 0 HJAARM O=C([O-])c1cc(-c2ccc(Br)cc2)nn1-c1ccc(Br)cc1 ZINC000025781682 558649711 /nfs/dbraw/zinc/64/97/11/558649711.db2.gz BSYMGBBZWYYMBD-UHFFFAOYSA-N -1 0 422.076 4.763 50 0 HJAARM C[C@H]1c2ccc(C(=O)[O-])n2CCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000400318905 558683736 /nfs/dbraw/zinc/68/37/36/558683736.db2.gz ALPWSQAKAKHDNI-HNNXBMFYSA-N -1 0 402.450 4.512 50 0 HJAARM COc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000028781569 558704601 /nfs/dbraw/zinc/70/46/01/558704601.db2.gz YZVDYYSMGYUFKO-UHFFFAOYSA-N -1 0 409.385 4.706 50 0 HJAARM Cc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1NC(=O)c1ccc(Cl)cc1 ZINC000004820699 558780939 /nfs/dbraw/zinc/78/09/39/558780939.db2.gz QYBUMPKJXKRXIB-ROUUACIJSA-N -1 0 412.873 4.506 50 0 HJAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000016425654 558790671 /nfs/dbraw/zinc/79/06/71/558790671.db2.gz WTUROSRSJGWGJM-UHFFFAOYSA-N -1 0 418.877 4.841 50 0 HJAARM Cc1ccc(NC(=O)c2c(NC(=O)C[C@H](C)CC(=O)[O-])sc3c2CCCC3)cc1 ZINC000017090006 558818537 /nfs/dbraw/zinc/81/85/37/558818537.db2.gz HJBOULQXTXZTEH-AWEZNQCLSA-N -1 0 414.527 4.627 50 0 HJAARM CCc1sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c(C(=O)OC)c1-c1ccccc1 ZINC000017090327 558819008 /nfs/dbraw/zinc/81/90/08/558819008.db2.gz KCKYVNCGERSSQD-LSDHHAIUSA-N -1 0 415.511 4.594 50 0 HJAARM Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000004675142 558886714 /nfs/dbraw/zinc/88/67/14/558886714.db2.gz SXLMKJRDJBWHRR-UHFFFAOYSA-N -1 0 414.870 4.733 50 0 HJAARM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccccc4F)cc3)sc2c1 ZINC000033169211 558899071 /nfs/dbraw/zinc/89/90/71/558899071.db2.gz XCJNBDBUYHNWLI-UHFFFAOYSA-N -1 0 414.483 4.912 50 0 HJAARM CCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2cccc(C)c2)cc1C(=O)[O-] ZINC000033253334 558921231 /nfs/dbraw/zinc/92/12/31/558921231.db2.gz VWLXWSUCTXFPBX-UHFFFAOYSA-N -1 0 424.522 4.521 50 0 HJAARM CCCCN(C)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1C(=O)[O-] ZINC000033253371 558921424 /nfs/dbraw/zinc/92/14/24/558921424.db2.gz SVLCXUJGOIIKOE-UHFFFAOYSA-N -1 0 418.559 4.719 50 0 HJAARM O=C([O-])c1ccccc1NS(=O)(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004644843 558984129 /nfs/dbraw/zinc/98/41/29/558984129.db2.gz ANQVYYFGPULITO-UHFFFAOYSA-N -1 0 411.523 4.653 50 0 HJAARM O=C([O-])c1ccccc1-c1ccc(C(=O)N2CCC[C@H](c3ccccc3)CC2)cn1 ZINC000067673121 558990986 /nfs/dbraw/zinc/99/09/86/558990986.db2.gz WYBZSALMYPKMNI-IBGZPJMESA-N -1 0 400.478 4.857 50 0 HJAARM O=C(CCn1c(=O)c2sc3ccccc3c2[n-]c1=S)NC1CCCCCC1 ZINC000004793239 559065864 /nfs/dbraw/zinc/06/58/64/559065864.db2.gz AZASYMJSPZCYCY-UHFFFAOYSA-N -1 0 401.557 4.503 50 0 HJAARM CCCCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])c2ccccc12 ZINC000011613999 559114297 /nfs/dbraw/zinc/11/42/97/559114297.db2.gz NYXABMBKHQUNEG-UHFFFAOYSA-N -1 0 413.495 4.908 50 0 HJAARM Cc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3)C(=O)N2c2ccc(C(=O)[O-])cc2)cc1 ZINC000004928666 559208378 /nfs/dbraw/zinc/20/83/78/559208378.db2.gz WHEACYVMMJXYPE-HSZRJFAPSA-N -1 0 409.445 4.833 50 0 HJAARM O=C([O-])c1ccc(N2C(=O)c3n[nH]c(-c4ccccc4)c3[C@@H]2c2ccc(F)cc2)cc1 ZINC000004928672 559208408 /nfs/dbraw/zinc/20/84/08/559208408.db2.gz JLYMUDGOIIEHMR-QFIPXVFZSA-N -1 0 413.408 4.664 50 0 HJAARM Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cccc(F)c2)c1 ZINC000017249631 560705031 /nfs/dbraw/zinc/70/50/31/560705031.db2.gz DVRCHHLBQSYHBL-UHFFFAOYSA-N -1 0 408.458 4.622 50 0 HJAARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1CC(=O)Nc1cccc(C)c1C ZINC000101505430 560796702 /nfs/dbraw/zinc/79/67/02/560796702.db2.gz OEEOTCKPJZRNAN-UHFFFAOYSA-N -1 0 418.522 4.808 50 0 HJAARM Cc1ccc(NC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(F)cc5)nc-4c3c2)cc1 ZINC000101828784 560802719 /nfs/dbraw/zinc/80/27/19/560802719.db2.gz KYVXKNRLGBAVGI-UHFFFAOYSA-N -1 0 412.424 4.518 50 0 HJAARM COc1ccc([C@@H]2CC(=O)C3C(=Nc4nonc4N[C@@H]3c3ccc(F)cc3)C2)cc1 ZINC000102739427 560824814 /nfs/dbraw/zinc/82/48/14/560824814.db2.gz KPKJPAXKIZJFDQ-VBKZILBWSA-N -1 0 406.417 4.846 50 0 HJAARM Cc1n[nH]c(SC(=Cc2ccccc2OCc2ccc(Cl)cc2)C(=O)[O-])n1 ZINC000005721352 560853854 /nfs/dbraw/zinc/85/38/54/560853854.db2.gz OTMXJCFKXOZDOV-LICLKQGHSA-N -1 0 401.875 4.563 50 0 HJAARM O=C([O-])CCC(=O)N1N=C2/C(=C\c3cccs3)CCC[C@H]2[C@H]1c1cccs1 ZINC000051329695 560871766 /nfs/dbraw/zinc/87/17/66/560871766.db2.gz OFSWBVKSEHHYTE-NRGQTZKASA-N -1 0 400.525 4.797 50 0 HJAARM Cc1nn(-c2cccc(Cl)c2)c2c1C(=C([O-])c1cc3ccccc3o1)CC(=O)N2 ZINC000046057880 568426335 /nfs/dbraw/zinc/42/63/35/568426335.db2.gz PPUFGBMITPZSDM-MRXNPFEDSA-N -1 0 405.841 4.889 50 0 HJAARM CCc1nc2sc([C@@H](c3cccc(Cl)c3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000012341917 568483200 /nfs/dbraw/zinc/48/32/00/568483200.db2.gz RGMVHDMPFVLVOA-LJQANCHMSA-N -1 0 424.957 4.860 50 0 HJAARM Cc1ccc(-c2nc(-c3ccc([N-]S(=O)(=O)c4cccs4)cc3)no2)c(C)c1 ZINC000033276472 568512518 /nfs/dbraw/zinc/51/25/18/568512518.db2.gz QVLHBKLVDGRSSP-UHFFFAOYSA-N -1 0 411.508 4.883 50 0 HJAARM COc1ccc(CNC(=O)[C@H]2CCCC[C@H]2c2nc3ccccc3s2)cc1C(=O)[O-] ZINC000225482502 568641902 /nfs/dbraw/zinc/64/19/02/568641902.db2.gz DVYJDRKRDFVGBI-JKSUJKDBSA-N -1 0 424.522 4.593 50 0 HJAARM COC(=O)C[C@@H](c1ccccc1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096114088 568693698 /nfs/dbraw/zinc/69/36/98/568693698.db2.gz AAAAWQOPBUPWEV-KRWDZBQOSA-N -1 0 416.429 4.566 50 0 biogenic HJAARM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2cc(F)c(F)c(F)c2)S1 ZINC000096117220 568696800 /nfs/dbraw/zinc/69/68/00/568696800.db2.gz AKPHFWUMNXHGHS-MEDUHNTESA-N -1 0 411.449 4.610 50 0 HJAARM Cc1cc(-c2cc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)c(C)s2)on1 ZINC000096323485 568731952 /nfs/dbraw/zinc/73/19/52/568731952.db2.gz YUKDKKDVGDSLTP-UHFFFAOYSA-N -1 0 402.419 4.840 50 0 HJAARM CCOc1cc2[n-]c(=S)n(CCc3ccccc3Cl)c(=O)c2cc1OCC ZINC000003010201 568837656 /nfs/dbraw/zinc/83/76/56/568837656.db2.gz DIGHTCKXAOMDLF-UHFFFAOYSA-N -1 0 404.919 4.753 50 0 HJAARM CCC(CC)NC(=O)c1cc2ccccc2cc1[N-]S(=O)(=O)c1cccs1 ZINC000012548406 568851561 /nfs/dbraw/zinc/85/15/61/568851561.db2.gz CSIMMQCLBNYFAH-UHFFFAOYSA-N -1 0 402.541 4.621 50 0 HJAARM Cc1cc(C)cc(C[C@@H](C(=O)Nc2ccc(C)c(Br)c2)[C@H](C)C(=O)[O-])c1 ZINC000001423579 568938722 /nfs/dbraw/zinc/93/87/22/568938722.db2.gz PFRJJVCAIFFXBR-MAUKXSAKSA-N -1 0 418.331 4.892 50 0 HJAARM CCn1c2ccccc2nc1CCc1cccc([N-]S(=O)(=O)c2ccccc2F)c1 ZINC000015870489 569017229 /nfs/dbraw/zinc/01/72/29/569017229.db2.gz AETIPPCQABCZSR-UHFFFAOYSA-N -1 0 423.513 4.781 50 0 HJAARM CC(C)(C)c1ccc(C(=O)NCc2n[n-]c(=S)n2-c2cccc(Cl)c2)cc1 ZINC000006306114 569038607 /nfs/dbraw/zinc/03/86/07/569038607.db2.gz JMULZOFPQWUKKH-UHFFFAOYSA-N -1 0 400.935 4.811 50 0 HJAARM Cc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CCCC4)n3)cs2)cc1C ZINC000035557490 569044734 /nfs/dbraw/zinc/04/47/34/569044734.db2.gz FJIZZTKPUJSEEV-UHFFFAOYSA-N -1 0 403.529 4.873 50 0 HJAARM COc1cc([C@@H]2CC(c3c(=O)cc(C)oc3[O-])=Nc3ccccc3S2)ccc1O ZINC000137817810 569045271 /nfs/dbraw/zinc/04/52/71/569045271.db2.gz GSXARWKBUWXWEH-FQEVSTJZSA-N -1 0 409.463 4.726 50 0 HJAARM Cc1cc(=O)c(C2=Nc3ccccc3S[C@@H](c3ccc4c(c3)OCO4)C2)c([O-])o1 ZINC000137819232 569045282 /nfs/dbraw/zinc/04/52/82/569045282.db2.gz SAEJKRNNXQSPSA-HXUWFJFHSA-N -1 0 407.447 4.740 50 0 HJAARM COC([O-])=NC(=O)c1c(C)c(C)sc1NC(=O)c1cccc(Oc2ccccc2)c1 ZINC000016689833 569070645 /nfs/dbraw/zinc/07/06/45/569070645.db2.gz MVROWXMPQTXCMP-UHFFFAOYSA-N -1 0 424.478 4.906 50 0 HJAARM COc1cccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(C)cc2)c1OC ZINC000064795923 569096392 /nfs/dbraw/zinc/09/63/92/569096392.db2.gz DSXSKHZPINUSJT-HNNXBMFYSA-N -1 0 423.490 4.913 50 0 HJAARM COc1cc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(C)cc2)ccc1O ZINC000064796015 569096400 /nfs/dbraw/zinc/09/64/00/569096400.db2.gz AKIPRQXKKHDAOJ-AWEZNQCLSA-N -1 0 409.463 4.610 50 0 HJAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2ccccc2OC)CC(=O)N3)cc1 ZINC000064796704 569096491 /nfs/dbraw/zinc/09/64/91/569096491.db2.gz MWOKSKBSHUURDP-HNNXBMFYSA-N -1 0 409.463 4.605 50 0 HJAARM COc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1C ZINC000064837353 569105135 /nfs/dbraw/zinc/10/51/35/569105135.db2.gz BUTNDRVSWZMGEA-UHFFFAOYSA-N -1 0 406.891 4.730 50 0 HJAARM O=S(=O)([N-]c1ccc(-c2noc(-c3ccc(Cl)cc3)n2)cc1)c1cccs1 ZINC000065010398 569153532 /nfs/dbraw/zinc/15/35/32/569153532.db2.gz AAMOKCXPLMTGPU-UHFFFAOYSA-N -1 0 417.899 4.919 50 0 HJAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc(-c3onc(C)c3C)s2)c1 ZINC000065031375 569157371 /nfs/dbraw/zinc/15/73/71/569157371.db2.gz OLRVDOQXJHDZAJ-UHFFFAOYSA-N -1 0 422.528 4.618 50 0 HJAARM Cc1c(Cl)cccc1NC(=O)c1c([O-])c2c3c(sc2[nH]c1=O)C[C@@H](C)CC3 ZINC000065150426 569184852 /nfs/dbraw/zinc/18/48/52/569184852.db2.gz HITUWJJTTLHJIG-VIFPVBQESA-N -1 0 402.903 4.634 50 0 HJAARM Cc1[n-]n2c(nc(C)c(CCC(=O)Nc3ccc(Cl)cc3)c2=O)c1-c1ccccc1 ZINC000036580054 569202971 /nfs/dbraw/zinc/20/29/71/569202971.db2.gz WJJDSLOFNGYMSC-UHFFFAOYSA-N -1 0 420.900 4.943 50 0 HJAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2nc3ccccc3nc2NCc2ccccc2)c1 ZINC000017250225 569276971 /nfs/dbraw/zinc/27/69/71/569276971.db2.gz QWBDMZVAQTXDGP-UHFFFAOYSA-N -1 0 418.522 4.660 50 0 HJAARM CCCCn1c(=O)c(C(=O)Nc2ccccc2Br)c([O-])c2ccccc21 ZINC000100498474 569283685 /nfs/dbraw/zinc/28/36/85/569283685.db2.gz YZDVQVBDEXSRPF-UHFFFAOYSA-N -1 0 415.287 4.522 50 0 HJAARM CCCCn1c(=O)c(C(=O)Nc2ccccc2Br)c([O-])c2ccccc21 ZINC000002272726 569327445 /nfs/dbraw/zinc/32/74/45/569327445.db2.gz YUYAPBMYEGQKIL-UHFFFAOYSA-N -1 0 415.287 4.522 50 0 HJAARM O=C([O-])[C@@H](CSc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000137375990 569359398 /nfs/dbraw/zinc/35/93/98/569359398.db2.gz NEPLBXLAJXQDSK-JOCHJYFZSA-N -1 0 419.502 4.771 50 0 HJAARM O=S(=O)([N-]c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccccc1Cl ZINC000013351178 569411231 /nfs/dbraw/zinc/41/12/31/569411231.db2.gz ZBKLHMKARDQCLC-UHFFFAOYSA-N -1 0 411.870 4.858 50 0 HJAARM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)nc2)c(Br)c1 ZINC000040146693 571196441 /nfs/dbraw/zinc/19/64/41/571196441.db2.gz HOFKUTYXKOIYSY-UHFFFAOYSA-N -1 0 419.300 4.746 50 0 HJAARM COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1cccc(C)c1C ZINC000009002259 571209848 /nfs/dbraw/zinc/20/98/48/571209848.db2.gz AGSUAWCJUSKDFF-UHFFFAOYSA-N -1 0 415.536 4.928 50 0 HJAARM O=c1[nH]c(-c2cc(Br)cc(Cl)c2[O-])nc2sc3c(c21)CCCC3 ZINC000009235917 571240030 /nfs/dbraw/zinc/24/00/30/571240030.db2.gz VSCZVKMKXPBTDC-UHFFFAOYSA-N -1 0 411.708 4.652 50 0 HJAARM Cc1cc(C)cc(C[C@@H](C(=O)[O-])[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000071405982 571293927 /nfs/dbraw/zinc/29/39/27/571293927.db2.gz CSJXHFTXPSCDFE-KBXCAEBGSA-N -1 0 409.404 4.720 50 0 HJAARM CCCCc1ccc(NC(=O)c2c[n-]c3c(c(C)nn3-c3ccc(C)cc3)c2=O)cc1 ZINC000010166803 571295703 /nfs/dbraw/zinc/29/57/03/571295703.db2.gz FNZTUEFLVLAPOC-UHFFFAOYSA-N -1 0 414.509 4.926 50 0 HJAARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c(C)n1C ZINC000001177864 132240488 /nfs/dbraw/zinc/24/04/88/132240488.db2.gz LQTXFBVGLTZZKS-PJQLUOCWSA-N -1 0 408.310 4.620 50 0 HJAARM Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ccccc3C(=O)[O-])C2=O)cc1C ZINC000012651846 132365763 /nfs/dbraw/zinc/36/57/63/132365763.db2.gz LJOPWGHXUONHCK-KGENOOAVSA-N -1 0 412.445 4.642 50 0 HJAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(-c3ccccc3)cc2Cl)C[C@H]1C(=O)[O-] ZINC000042783108 518817054 /nfs/dbraw/zinc/81/70/54/518817054.db2.gz JIXMZIQPVYLGGQ-WMZOPIPTSA-N -1 0 417.889 4.848 50 0 HJAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCCC3)cs2)cc1Cl ZINC000045961758 525296093 /nfs/dbraw/zinc/29/60/93/525296093.db2.gz AZDWAWBZXSZNDL-UHFFFAOYSA-N -1 0 412.964 4.527 50 0 HJAARM COc1cccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(Br)cc3)n2)c1 ZINC000020492103 525704983 /nfs/dbraw/zinc/70/49/83/525704983.db2.gz KVRFQKZZRIFOAL-UHFFFAOYSA-N -1 0 424.254 4.761 50 0 HJAARM Cc1nc(-c2c(Cl)cccc2Cl)sc1C(=O)NCCCCCC(=O)[O-] ZINC000040266264 526559717 /nfs/dbraw/zinc/55/97/17/526559717.db2.gz KVUNRMVEKLPASF-UHFFFAOYSA-N -1 0 401.315 4.800 50 0 HJAARM O=C([O-])Cn1c(C(=O)Nc2nc(-c3ccccc3Cl)cs2)cc2ccccc21 ZINC000000537914 557018340 /nfs/dbraw/zinc/01/83/40/557018340.db2.gz ILNRQFBVVQUOLP-UHFFFAOYSA-N -1 0 411.870 4.755 50 0 investigational HJAARM CC(C)c1ccc(NC(=O)c2ccccc2NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000000627385 557023564 /nfs/dbraw/zinc/02/35/64/557023564.db2.gz OOQFCMGZQKECHQ-MOPGFXCFSA-N -1 0 406.482 4.668 50 0 HJAARM O=C([O-])c1cccc(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)c1 ZINC000000630045 557025780 /nfs/dbraw/zinc/02/57/80/557025780.db2.gz DXQZHIYVTJJTHT-UHFFFAOYSA-N -1 0 405.020 4.799 50 0 HJAARM Cc1cc(C)c(S(=O)(=O)[N-]c2cnn(Cc3ccc(Cl)cc3Cl)c2)c(C)c1 ZINC000000649613 557038416 /nfs/dbraw/zinc/03/84/16/557038416.db2.gz PGPYBFPUYNCYPJ-UHFFFAOYSA-N -1 0 424.353 4.964 50 0 HJAARM O=C([O-])c1nnn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1ccccc1 ZINC000001048580 557157814 /nfs/dbraw/zinc/15/78/14/557157814.db2.gz PSSINRKVBATWGB-UHFFFAOYSA-N -1 0 401.266 4.670 50 0 HJAARM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2Cl)c1 ZINC000001164272 557219874 /nfs/dbraw/zinc/21/98/74/557219874.db2.gz ZDFXJWPOIFJGLB-UHFFFAOYSA-N -1 0 400.887 4.702 50 0 HJAARM O=C([O-])C[C@H](Cc1cccc(F)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002389798 557343418 /nfs/dbraw/zinc/34/34/18/557343418.db2.gz ZZCLRFMQVCVNGD-SFHVURJKSA-N -1 0 419.452 4.750 50 0 HJAARM O=C([O-])c1cc(NC(=O)CCc2ccccc2)cc(NC(=O)CCc2ccccc2)c1 ZINC000002836364 557399100 /nfs/dbraw/zinc/39/91/00/557399100.db2.gz HGWSRCDYHPSWOX-UHFFFAOYSA-N -1 0 416.477 4.527 50 0 HJAARM CCCOc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)[O-])c2)cc1 ZINC000004524777 557563682 /nfs/dbraw/zinc/56/36/82/557563682.db2.gz FLHVDDTUHAHUNS-UHFFFAOYSA-N -1 0 418.449 4.678 50 0 HJAARM COC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc21 ZINC000008439206 557789418 /nfs/dbraw/zinc/78/94/18/557789418.db2.gz LCFAVXVTBLZUAG-UHFFFAOYSA-N -1 0 414.266 4.635 50 0 HJAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(Oc2c(Cl)cccc2Cl)nc1 ZINC000008636861 557798030 /nfs/dbraw/zinc/79/80/30/557798030.db2.gz DABGUYWNSKIQMK-UHFFFAOYSA-N -1 0 414.270 4.586 50 0 HJAARM O=C(NC1CCCC1)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000020628779 558394706 /nfs/dbraw/zinc/39/47/06/558394706.db2.gz IVJWBTXPCGQSIX-UHFFFAOYSA-N -1 0 419.355 4.528 50 0 HJAARM C[C@@H](C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])C(F)(F)F ZINC000012649448 558443619 /nfs/dbraw/zinc/44/36/19/558443619.db2.gz QITBKIGOBMSJBN-KPZWWZAWSA-N -1 0 407.388 4.567 50 0 HJAARM O=C([O-])c1ccc(CSCCC(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000012903088 558484029 /nfs/dbraw/zinc/48/40/29/558484029.db2.gz HWPYEVFHDUHDJM-UHFFFAOYSA-N -1 0 405.519 4.914 50 0 HJAARM Cc1cc([N-]S(=O)(=O)c2ccc(Oc3ccc(-c4ccccc4)cc3)nc2)no1 ZINC000024775471 558612410 /nfs/dbraw/zinc/61/24/10/558612410.db2.gz WURGGTKNELXZQB-UHFFFAOYSA-N -1 0 407.451 4.638 50 0 HJAARM COc1cccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)c1OC ZINC000015081528 558719092 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HJAARM CC(C)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC[C@H](C)C2)cc1 ZINC000033253959 558922312 /nfs/dbraw/zinc/92/23/12/558922312.db2.gz VEFZUJDGHUOOQQ-INIZCTEOSA-N -1 0 416.543 4.545 50 0 HJAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)cc1 ZINC000065004596 558969178 /nfs/dbraw/zinc/96/91/78/558969178.db2.gz MUEDFQIALSJFJG-UHFFFAOYSA-N -1 0 404.513 4.870 50 0 HJAARM COC(=O)c1c2cc([N-]S(=O)(=O)c3cccs3)c(C)cc2oc1C(C)(C)C ZINC000004735759 559034742 /nfs/dbraw/zinc/03/47/42/559034742.db2.gz PYYWHGGWAFIDKI-UHFFFAOYSA-N -1 0 407.513 4.688 50 0 HJAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)c(C)s2)sc1C ZINC000033290090 559047040 /nfs/dbraw/zinc/04/70/40/559047040.db2.gz FABVKCQAOVXDAG-UHFFFAOYSA-N -1 0 400.497 4.876 50 0 HJAARM Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)n[nH]1 ZINC000033306679 559051639 /nfs/dbraw/zinc/05/16/39/559051639.db2.gz WQHZZUCHFQUTRS-UHFFFAOYSA-N -1 0 415.462 4.883 50 0 HJAARM Cc1oc(=O)c(-c2csc(Nc3ccc(Cl)cc3)n2)c([O-])c1Br ZINC000096318789 559109875 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4.560 50 0 HJAARM CCCc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1 ZINC000012508485 568840138 /nfs/dbraw/zinc/84/01/38/568840138.db2.gz DFROFYTVVDMBKM-UHFFFAOYSA-N -1 0 400.525 4.754 50 0 HJAARM Cc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccs2)c(C)c1 ZINC000003170784 568859479 /nfs/dbraw/zinc/85/94/79/568859479.db2.gz VZFZOINKHDTDQZ-UHFFFAOYSA-N -1 0 410.524 4.853 50 0 HJAARM O=C(Nc1cc(C(=O)c2ccccc2[O-])cn2c3ccccc3nc12)c1ccccc1 ZINC000012699509 568917069 /nfs/dbraw/zinc/91/70/69/568917069.db2.gz SVSKHCUEXMYHFM-UHFFFAOYSA-N -1 0 407.429 4.676 50 0 HJAARM Cc1cc2c(ncn2Cc2ccccc2)c([N-]S(=O)(=O)c2ccc(F)cc2)c1C ZINC000001385893 568922607 /nfs/dbraw/zinc/92/26/07/568922607.db2.gz ALWVIIAKKBPMIS-UHFFFAOYSA-N -1 0 409.486 4.641 50 0 HJAARM Cc1ccc(Cn2cnc3c2cc(C)c(C)c3[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000001388484 568923180 /nfs/dbraw/zinc/92/31/80/568923180.db2.gz NQPBBDGHWAALTK-UHFFFAOYSA-N -1 0 423.513 4.950 50 0 HJAARM C[C@H](c1cccnc1)N1CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])CC1 ZINC000084661106 568954961 /nfs/dbraw/zinc/95/49/61/568954961.db2.gz DCIJUIWCAIUXQV-QGZVFWFLSA-N -1 0 421.928 4.627 50 0 HJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(C)c(F)c2)cc1 ZINC000006142859 569014366 /nfs/dbraw/zinc/01/43/66/569014366.db2.gz HGVGNXFIQJBSHN-UHFFFAOYSA-N -1 0 422.485 4.930 50 0 HJAARM CCn1c2ccccc2nc1CCc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000015870609 569017355 /nfs/dbraw/zinc/01/73/55/569017355.db2.gz OIAGGFPMHIGHKH-UHFFFAOYSA-N -1 0 423.513 4.781 50 0 HJAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000006316099 569040332 /nfs/dbraw/zinc/04/03/32/569040332.db2.gz BLHIAGRUQOZOGJ-UHFFFAOYSA-N -1 0 404.713 4.610 50 0 HJAARM CCCC[C@H](CC)[C@@H]1[C@@H]2C(=O)N(c3cccc(C)c3)C([O-])=C2ON1c1ccccc1 ZINC000226909550 569039993 /nfs/dbraw/zinc/03/99/93/569039993.db2.gz QGBCDYBRZMPPGI-XSEFMFLKSA-N -1 0 406.526 4.890 50 0 HJAARM Cc1cccc(C)c1[N-]S(=O)(=O)c1cc(-c2noc(C3CCCC3)n2)cs1 ZINC000035557393 569044725 /nfs/dbraw/zinc/04/47/25/569044725.db2.gz QHYXDNAZPPEQME-UHFFFAOYSA-N -1 0 403.529 4.873 50 0 HJAARM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2noc(C3CCC3)n2)cs1 ZINC000035557112 569044754 /nfs/dbraw/zinc/04/47/54/569044754.db2.gz SIIKEKXZGVVGID-UHFFFAOYSA-N -1 0 409.920 4.828 50 0 HJAARM COc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(C)cc2)c(OC)c1 ZINC000064796253 569096451 /nfs/dbraw/zinc/09/64/51/569096451.db2.gz WJIZCMMXACGNHO-MRXNPFEDSA-N -1 0 423.490 4.913 50 0 HJAARM COC(=O)c1[nH]c2ccccc2c1[C@@H](Nc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000006786319 569121335 /nfs/dbraw/zinc/12/13/35/569121335.db2.gz IEAFDNKFAWIMTQ-NRFANRHFSA-N -1 0 400.434 4.854 50 0 HJAARM Cc1ccc(-c2nc(-c3ccc([N-]S(=O)(=O)c4cccs4)cc3)no2)cc1F ZINC000065010408 569153544 /nfs/dbraw/zinc/15/35/44/569153544.db2.gz WBTWIFCZAKFMFF-UHFFFAOYSA-N -1 0 415.471 4.713 50 0 HJAARM Cc1ccc(NC(=O)c2c([O-])c3c4c(sc3[nH]c2=O)C[C@@H](C)CC4)cc1Cl ZINC000065150424 569184840 /nfs/dbraw/zinc/18/48/40/569184840.db2.gz YATDMUYOKKWANQ-VIFPVBQESA-N -1 0 402.903 4.634 50 0 HJAARM CC(C)COc1ccc(-c2noc(-c3c(=O)[nH]c4ccc(Cl)cc4c3[O-])n2)cc1 ZINC000065248517 569205809 /nfs/dbraw/zinc/20/58/09/569205809.db2.gz OHOUBKPBCLEDLF-UHFFFAOYSA-N -1 0 411.845 4.639 50 0 HJAARM COc1cccc(CSc2nc3c(sc(=S)n3-c3ccccc3)c(=O)[n-]2)c1 ZINC000016960359 569269032 /nfs/dbraw/zinc/26/90/32/569269032.db2.gz JEYVDJBEDAFYLC-UHFFFAOYSA-N -1 0 413.549 4.806 50 0 HJAARM CCCCCn1c([N-]S(=O)(=O)c2ccc(C)cc2)cc2nc3ccccc3nc21 ZINC000002219516 569312083 /nfs/dbraw/zinc/31/20/83/569312083.db2.gz PZVMFYCVKHGNNP-UHFFFAOYSA-N -1 0 408.527 4.884 50 0 HJAARM O=P([O-])(Oc1ccc(Br)cc1)Oc1ccc(Br)cc1 ZINC000001840498 569363985 /nfs/dbraw/zinc/36/39/85/569363985.db2.gz PYOALRBVGLCADY-UHFFFAOYSA-N -1 0 407.982 4.770 50 0 HJAARM O=C([O-])c1ccc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)cc1 ZINC000008769024 571116362 /nfs/dbraw/zinc/11/63/62/571116362.db2.gz SJPRSRRKBRDNBS-UHFFFAOYSA-N -1 0 424.250 4.631 50 0 HJAARM O=C([N-]c1nnc(SCc2cccs2)s1)c1cc(-c2ccccc2)no1 ZINC000040158526 571204905 /nfs/dbraw/zinc/20/49/05/571204905.db2.gz YVJMBRZKDAQRAQ-UHFFFAOYSA-N -1 0 400.510 4.799 50 0 HJAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc2ccccc2c1)N1CCCCCC1 ZINC000009356435 571251072 /nfs/dbraw/zinc/25/10/72/571251072.db2.gz PHKSPFYSPSWNJB-UHFFFAOYSA-N -1 0 408.523 4.657 50 0 HJAARM O=C([O-])c1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1 ZINC000009908251 571289993 /nfs/dbraw/zinc/28/99/93/571289993.db2.gz KNBKEZDFEHKPFC-UNOMPAQXSA-N -1 0 422.437 4.551 50 0 HJAARM Cc1cc(C)cc(C[C@@H](C(=O)[O-])[C@H](C)C(=O)Nc2ccc(C)c(Br)c2)c1 ZINC000071405984 571293957 /nfs/dbraw/zinc/29/39/57/571293957.db2.gz CEMHFLMOVGIPSW-MAUKXSAKSA-N -1 0 418.331 4.892 50 0 HJAARM CCCCCCOc1ccc(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)cc1OC ZINC000058324877 520106437 /nfs/dbraw/zinc/10/64/37/520106437.db2.gz IHFAJQLGXHJXMB-UHFFFAOYSA-N -1 0 411.458 4.662 50 0 HJAARM CCc1ccc(-c2[nH]nc3nc(-c4cccc(OC)c4OC)cc(C(=O)[O-])c32)cc1 ZINC000020492321 523852861 /nfs/dbraw/zinc/85/28/61/523852861.db2.gz OBEVMCXQMWIUFD-UHFFFAOYSA-N -1 0 403.438 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571130167 /nfs/dbraw/zinc/13/01/67/571130167.db2.gz AEAGFBQPXKUZQJ-UHFFFAOYSA-N -1 0 424.478 4.575 50 0 HJAARM C[C@@H](CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000040030632 571140771 /nfs/dbraw/zinc/14/07/71/571140771.db2.gz SMUKXHXSGVFHLW-HNNXBMFYSA-N -1 0 400.525 4.681 50 0 HJAARM CC(C)[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1)c1cccs1 ZINC000040145171 571195269 /nfs/dbraw/zinc/19/52/69/571195269.db2.gz YYTBRXHQBSTPIX-GOSISDBHSA-N -1 0 420.581 4.738 50 0 HJAARM O=S(=O)([N-]c1cccnc1Oc1ccccc1)c1ccccc1OC(F)(F)F ZINC000040146667 571196385 /nfs/dbraw/zinc/19/63/85/571196385.db2.gz CRFPRRJTKRUZBP-UHFFFAOYSA-N -1 0 410.373 4.573 50 0 HJAARM COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000009002256 571209844 /nfs/dbraw/zinc/20/98/44/571209844.db2.gz FQGJRTJXZRKUHN-UHFFFAOYSA-N -1 0 415.536 4.928 50 0 HJAARM CCOc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2snnc2CC)cc1 ZINC000009134322 571229261 /nfs/dbraw/zinc/22/92/61/571229261.db2.gz RHKPNZBKUDGPMZ-UHFFFAOYSA-N -1 0 421.478 4.729 50 0 HJAARM Cc1nc([N-]S(=O)(=O)c2ccccc2)sc1NC(=O)Nc1ccc(Cl)cc1 ZINC000017161063 571309589 /nfs/dbraw/zinc/30/95/89/571309589.db2.gz BXYZDVGKFYGYFO-UHFFFAOYSA-N -1 0 422.919 4.550 50 0 HJAARM O=C([O-])c1cc(NS(=O)(=O)c2ccccc2Cl)ccc1N1CCCCCCC1 ZINC000032962189 526354740 /nfs/dbraw/zinc/35/47/40/526354740.db2.gz MHJNFTJQWKZJPX-UHFFFAOYSA-N -1 0 422.934 4.610 50 0 HJAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@@]21C(=O)Nc2c1cccc2Cl ZINC000032072484 526411510 /nfs/dbraw/zinc/41/15/10/526411510.db2.gz MRWZLUVIBIBQGC-NRFANRHFSA-N -1 0 424.865 4.997 50 0 HJAARM COc1ccc([C@H]2[C@@H](C(=O)[O-])c3ccccc3C(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000001041569 557153736 /nfs/dbraw/zinc/15/37/36/557153736.db2.gz WJQMZXHQQRBUBD-VXKWHMMOSA-N -1 0 421.880 4.914 50 0 HJAARM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccccc1I ZINC000001145121 557207247 /nfs/dbraw/zinc/20/72/47/557207247.db2.gz BBKCMDPQSWNNAU-UHFFFAOYSA-N -1 0 408.022 4.556 50 0 HJAARM Cc1cc(-c2ccccc2)n(-c2ccc(Oc3ccccc3)c(S(=O)(=O)[O-])c2)n1 ZINC000001834472 557291301 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CC[C@H](C)[C@H]1SC[C@H](C(=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240459 559056214 /nfs/dbraw/zinc/05/62/14/559056214.db2.gz HRIYWBAEXOUWJP-LVXYXVKQSA-N -1 0 411.523 4.810 50 0 HJAARM O=C([O-])c1ccc(N2C(=O)c3n[nH]c(-c4ccccc4)c3[C@@H]2c2ccccc2F)cc1 ZINC000004928679 559208456 /nfs/dbraw/zinc/20/84/56/559208456.db2.gz HVXOGVNAMZQMGT-QFIPXVFZSA-N -1 0 413.408 4.664 50 0 HJAARM CCCCCCOc1ccc(NC(=O)c2c([O-])c3ccccc3n(CC)c2=O)cc1 ZINC000100498380 559209783 /nfs/dbraw/zinc/20/97/83/559209783.db2.gz DVCRCCZDODCBJN-UHFFFAOYSA-N -1 0 408.498 4.938 50 0 HJAARM CCc1nnsc1C(=O)[N-]c1c2ccccc2oc1C(=O)c1ccc(Cl)cc1 ZINC000004941909 559213270 /nfs/dbraw/zinc/21/32/70/559213270.db2.gz VMWVUZGCVONNEE-UHFFFAOYSA-N -1 0 411.870 4.983 50 0 HJAARM CCOC([O-])=NC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000005145160 559252424 /nfs/dbraw/zinc/25/24/24/559252424.db2.gz YRCNSXNPCLIWKB-UHFFFAOYSA-N -1 0 402.516 4.801 50 0 HJAARM Cc1ccc(NC(=O)/C=C\c2ccccc2F)cc1NS(=O)(=O)c1ccccc1 ZINC000098007638 560759221 /nfs/dbraw/zinc/75/92/21/560759221.db2.gz FSWLHIRXTQMAMQ-OWBHPGMISA-N -1 0 410.470 4.587 50 0 HJAARM C[C@@H]1CCCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(F)cc2)C1 ZINC000102894351 560833108 /nfs/dbraw/zinc/83/31/08/560833108.db2.gz DVIMSPQILAHPRU-CXAGYDPISA-N -1 0 412.490 4.717 50 0 HJAARM CC(C)OC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CCCC(=O)[O-] ZINC000005727282 560854486 /nfs/dbraw/zinc/85/44/86/560854486.db2.gz IJTHMUUCCSXGSN-UHFFFAOYSA-N -1 0 409.891 4.827 50 0 HJAARM O=C([O-])c1cc(-c2cc(Br)ccc2O)nc2ccc(Br)cc21 ZINC000000647564 568457438 /nfs/dbraw/zinc/45/74/38/568457438.db2.gz XROWZQQYNPHJPG-UHFFFAOYSA-N -1 0 423.060 4.831 50 0 HJAARM O=S(=O)([N-]c1ccccc1-c1cn2ccccc2n1)c1ccccc1C(F)(F)F ZINC000390827145 568591393 /nfs/dbraw/zinc/59/13/93/568591393.db2.gz FDLBWNHEIHLTLM-UHFFFAOYSA-N -1 0 417.412 4.821 50 0 HJAARM COc1ccc(Sc2nsc([N-]C(=O)c3cc(-c4cccs4)on3)n2)cc1 ZINC000080345373 568602839 /nfs/dbraw/zinc/60/28/39/568602839.db2.gz ALNIBUQWBPZQIA-UHFFFAOYSA-N -1 0 416.509 4.667 50 0 HJAARM COC(=O)C[C@@H](c1cccs1)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096114517 568694280 /nfs/dbraw/zinc/69/42/80/568694280.db2.gz ODYFTNZMXYODHJ-INIZCTEOSA-N -1 0 422.458 4.628 50 0 biogenic HJAARM O=S(=O)([N-]c1ccn(Cc2c(Cl)cccc2Cl)n1)c1ccc(Cl)cc1 ZINC000002804078 568811338 /nfs/dbraw/zinc/81/13/38/568811338.db2.gz PLYRVXUEPADIMX-UHFFFAOYSA-N -1 0 416.717 4.692 50 0 HJAARM C[C@H](NC(=O)c1ccc(Cn2c(=O)c3sccc3[n-]c2=S)cc1)c1ccccc1 ZINC000002932462 568818561 /nfs/dbraw/zinc/81/85/61/568818561.db2.gz AJJBGZJAGZSMJI-AWEZNQCLSA-N -1 0 421.547 4.660 50 0 HJAARM C[C@H]1CCc2c(sc3nc(-c4ccc(-c5ccc(C(=O)[O-])cc5)o4)[nH]c(=O)c23)C1 ZINC000005881391 568827872 /nfs/dbraw/zinc/82/78/72/568827872.db2.gz NVSONUVLNXVNFR-NSHDSACASA-N -1 0 406.463 4.735 50 0 HJAARM CCCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000005952039 568831990 /nfs/dbraw/zinc/83/19/90/568831990.db2.gz IQTMGHYLVSRKQO-HZPDHXFCSA-N -1 0 415.511 4.811 50 0 HJAARM 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O=C([O-])c1ccc(N2C(=O)c3n[nH]c(-c4ccccc4)c3[C@@H]2c2cccs2)cc1 ZINC000000626683 557022949 /nfs/dbraw/zinc/02/29/49/557022949.db2.gz MROCJNRJYNHDNK-FQEVSTJZSA-N -1 0 401.447 4.586 50 0 HJAARM CC(C)c1ccc(NC(=O)c2ccccc2NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000000627381 557023467 /nfs/dbraw/zinc/02/34/67/557023467.db2.gz OOQFCMGZQKECHQ-RTBURBONSA-N -1 0 406.482 4.668 50 0 HJAARM C[C@@H](Oc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccc(Cl)cc1)c2=O)C(=O)[O-] ZINC000000956370 557126416 /nfs/dbraw/zinc/12/64/16/557126416.db2.gz YPROHFBQSFVDGY-SECBINFHSA-N -1 0 412.747 4.984 50 0 HJAARM O=S(=O)([N-]c1cc(-c2cccs2)nn1-c1ccc(F)cc1)c1cccc(F)c1 ZINC000001047087 557156927 /nfs/dbraw/zinc/15/69/27/557156927.db2.gz GULUFDCOGAXLEP-UHFFFAOYSA-N -1 0 417.462 4.680 50 0 in-vivo HJAARM O=C(NCCC1=CCCCC1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000001066292 557166532 /nfs/dbraw/zinc/16/65/32/557166532.db2.gz UBUBRZOGSJEYHY-UHFFFAOYSA-N -1 0 418.946 4.761 50 0 HJAARM O=C([O-])c1ccc(NC(=O)CCc2ccccc2)c(NC(=O)CCc2ccccc2)c1 ZINC000001164950 557220281 /nfs/dbraw/zinc/22/02/81/557220281.db2.gz WSJOVXRCXGKZDM-UHFFFAOYSA-N -1 0 416.477 4.527 50 0 HJAARM COc1ccc(CSc2nnc(SCc3ccc(C(=O)[O-])cc3)s2)cc1 ZINC000002223131 557328435 /nfs/dbraw/zinc/32/84/35/557328435.db2.gz ICTOSNZJZZMDOZ-UHFFFAOYSA-N -1 0 404.538 4.830 50 0 HJAARM O=C([O-])C[C@H](Cc1ccc(F)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002385937 557342924 /nfs/dbraw/zinc/34/29/24/557342924.db2.gz LTBGWPINKRNSDL-SFHVURJKSA-N -1 0 419.452 4.750 50 0 HJAARM O=C([O-])C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1F ZINC000002389069 557343436 /nfs/dbraw/zinc/34/34/36/557343436.db2.gz LYKQNUSJPNQQLZ-JOCHJYFZSA-N -1 0 405.425 4.880 50 0 HJAARM CC(=O)Nc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)[O-])c1 ZINC000002582899 557358275 /nfs/dbraw/zinc/35/82/75/557358275.db2.gz FVLXPSCVGYITQG-UHFFFAOYSA-N -1 0 416.433 4.704 50 0 HJAARM C[C@@H](C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])C(F)(F)F ZINC000002583193 557358312 /nfs/dbraw/zinc/35/83/12/557358312.db2.gz 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CCc1nc2sc([C@@H](c3cccc(C(F)(F)F)c3)N3CCC(C)CC3)c([O-])n2n1 ZINC000022853353 557840186 /nfs/dbraw/zinc/84/01/86/557840186.db2.gz NFXIHPCKVFAECE-MRXNPFEDSA-N -1 0 424.492 4.899 50 0 HJAARM CCc1ccc(-c2[nH]nc3nc(-c4ccc(OC)c(OC)c4)cc(C(=O)[O-])c32)cc1 ZINC000020492342 558378487 /nfs/dbraw/zinc/37/84/87/558378487.db2.gz KHXLAAJKFZHWBC-UHFFFAOYSA-N -1 0 403.438 4.570 50 0 HJAARM O=S(=O)([N-]c1cnc(-c2ccccc2)nc1)c1ccc(Cl)cc1C(F)(F)F ZINC000012631435 558442032 /nfs/dbraw/zinc/44/20/32/558442032.db2.gz OXIDFTPPZZXAFF-UHFFFAOYSA-N -1 0 413.808 4.617 50 0 HJAARM CC(C)(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000022843525 558516308 /nfs/dbraw/zinc/51/63/08/558516308.db2.gz QRWVJRAOOJLZNK-UHFFFAOYSA-N -1 0 401.315 4.779 50 0 HJAARM CC[C@]1(C)Cc2ccccc2-c2c1c(=O)n(CCc1ccccc1)c1ncc([S-])n12 ZINC000013228213 558527156 /nfs/dbraw/zinc/52/71/56/558527156.db2.gz GBIKHOAJAFLWEL-RUZDIDTESA-N -1 0 415.562 4.918 50 0 HJAARM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000024226603 558592828 /nfs/dbraw/zinc/59/28/28/558592828.db2.gz XWDDNUQRQSWDRB-UHFFFAOYSA-N -1 0 411.104 4.565 50 0 HJAARM O=C(c1c([O-])cc(F)cc1F)N1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000072311485 558784991 /nfs/dbraw/zinc/78/49/91/558784991.db2.gz CBCVHAVPJGRMLO-MRXNPFEDSA-N -1 0 403.816 4.691 50 0 HJAARM O=C([O-])c1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000016429983 558791120 /nfs/dbraw/zinc/79/11/20/558791120.db2.gz ARXFUIHLAJISSG-UNOMPAQXSA-N -1 0 422.437 4.551 50 0 HJAARM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(-c3cn4cccc(C)c4n3)c2)c1 ZINC000016780403 558806803 /nfs/dbraw/zinc/80/68/03/558806803.db2.gz XOFPPVAIOYLNSD-UHFFFAOYSA-N -1 0 421.522 4.682 50 0 HJAARM CC(C)c1cc(C(=O)Nc2ccccc2)c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])s1 ZINC000017089210 558817909 /nfs/dbraw/zinc/81/79/09/558817909.db2.gz HVBOIAVSULWUQH-HOTGVXAUSA-N -1 0 412.511 4.729 50 0 HJAARM CC(C)COC(=O)N=c1[n-]nc(Sc2ncc(C(F)(F)F)cc2Cl)s1 ZINC000017117888 558822896 /nfs/dbraw/zinc/82/28/96/558822896.db2.gz JAGLTWFRNXPOBF-UHFFFAOYSA-N 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ZINC000033276466 559036239 /nfs/dbraw/zinc/03/62/39/559036239.db2.gz FSSIDEIUTSYSAS-UHFFFAOYSA-N -1 0 403.529 4.722 50 0 HJAARM Cc1[nH]nc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c1C ZINC000033306744 559051817 /nfs/dbraw/zinc/05/18/17/559051817.db2.gz MXJCTHXKFUSFOS-UHFFFAOYSA-N -1 0 413.927 4.965 50 0 HJAARM Cc1ccc([N-]S(=O)(=O)c2ccccc2-c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000033307133 559051967 /nfs/dbraw/zinc/05/19/67/559051967.db2.gz SZZSIFGTQIFOLG-UHFFFAOYSA-N -1 0 409.442 4.652 50 0 HJAARM Cn1c(=O)c(C2=Nc3ccccc3S[C@H](c3cccs3)C2)c([O-])[nH]c1=S ZINC000101767040 560799909 /nfs/dbraw/zinc/79/99/09/560799909.db2.gz CGHKAHQOGWTNSY-AWEZNQCLSA-N -1 0 401.538 4.568 50 0 HJAARM Cc1ccc(NC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(C)cc5)nc-4c3c2)cc1 ZINC000101828152 560802624 /nfs/dbraw/zinc/80/26/24/560802624.db2.gz MWQLIJLLIJMQOO-UHFFFAOYSA-N -1 0 408.461 4.688 50 0 HJAARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1CCC(=O)N1CCC(C)CC1 ZINC000101832886 560802969 /nfs/dbraw/zinc/80/29/69/560802969.db2.gz 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571302648 /nfs/dbraw/zinc/30/26/48/571302648.db2.gz JLCSBBIXASYRMK-UHFFFAOYSA-N -1 0 424.566 4.973 50 0 HJAARM Cc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4c5ccccc5ccc4N(C)C3)C2=O)c(C)c1 ZINC000008974388 132334406 /nfs/dbraw/zinc/33/44/06/132334406.db2.gz JQFYPQGQFAACIX-VWLOTQADSA-N -1 0 413.477 4.559 50 0 HJAARM CC(C)c1cc(C(=O)Nc2ccccc2)c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])s1 ZINC000017089981 519832745 /nfs/dbraw/zinc/83/27/45/519832745.db2.gz MXJYVFCKFMUNLY-CVEARBPZSA-N -1 0 414.527 4.953 50 0 HJAARM COc1cc(C)ccc1Oc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cn1 ZINC000032915875 522282273 /nfs/dbraw/zinc/28/22/73/522282273.db2.gz ISBJTVWEUHLDKW-UHFFFAOYSA-N -1 0 404.875 4.645 50 0 HJAARM Cc1cccc2c1N(C)C(=O)[C@@]21CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccccc1 ZINC000032072853 524951063 /nfs/dbraw/zinc/95/10/63/524951063.db2.gz DXPKNVSDGQQBQK-QHCPKHFHSA-N -1 0 418.474 4.676 50 0 HJAARM O=C([O-])[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1ccccc1 ZINC000040287644 526308254 /nfs/dbraw/zinc/30/82/54/526308254.db2.gz 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O=C([O-])[C@H](CSc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002586068 557358588 /nfs/dbraw/zinc/35/85/88/557358588.db2.gz NEPLBXLAJXQDSK-QFIPXVFZSA-N -1 0 419.502 4.771 50 0 HJAARM O=C(NC1CCCCC1)c1ccccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000003613059 557494753 /nfs/dbraw/zinc/49/47/53/557494753.db2.gz XYPVWCCIWPOOOD-UHFFFAOYSA-N -1 0 408.523 4.703 50 0 HJAARM Cc1oc2ccc([N-]S(=O)(=O)c3cccc4cccnc43)cc2c1C(=O)OC(C)C ZINC000003656723 557497143 /nfs/dbraw/zinc/49/71/43/557497143.db2.gz PPQGZKJZVGIVMQ-UHFFFAOYSA-N -1 0 424.478 4.655 50 0 HJAARM CC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(C(=O)[O-])cc1)c1ccccc21 ZINC000003656738 557497159 /nfs/dbraw/zinc/49/71/59/557497159.db2.gz AUNRONFLWIUWDK-UHFFFAOYSA-N -1 0 423.446 4.596 50 0 HJAARM Cc1ccc2c(C)nc([N-]c3ncc4c(n3)C[C@@H](c3ccc(F)cc3)CC4=O)nc2c1 ZINC000004488274 557559223 /nfs/dbraw/zinc/55/92/23/557559223.db2.gz GOAVNVYEYMVDGK-MRXNPFEDSA-N -1 0 413.456 4.832 50 0 HJAARM CC(C)(C)O[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000004521116 557563091 /nfs/dbraw/zinc/56/30/91/557563091.db2.gz OHWTZEARHIOFMA-DLBZAZTESA-N -1 0 423.509 4.668 50 0 HJAARM Cc1c([O-])c([S@@](=O)c2ccccc2)c(=O)n(-c2ccccc2)c1-c1ccccc1 ZINC000005433545 557653357 /nfs/dbraw/zinc/65/33/57/557653357.db2.gz JOSQZNPXPNWJNC-GDLZYMKVSA-N -1 0 401.487 4.685 50 0 HJAARM C[C@@H](c1ccccc1)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000005721807 557670742 /nfs/dbraw/zinc/67/07/42/557670742.db2.gz ZQWJZRLWGALBIQ-HJPURHCSSA-N -1 0 401.462 4.782 50 0 HJAARM O=S(=O)([N-]c1nc2ccccc2nc1NCc1ccccc1)c1ccc(Cl)cc1 ZINC000009012109 557819177 /nfs/dbraw/zinc/81/91/77/557819177.db2.gz OFLHLLIVVLUQBX-UHFFFAOYSA-N -1 0 424.913 4.696 50 0 HJAARM COc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)c(OC)c1 ZINC000012420002 558403455 /nfs/dbraw/zinc/40/34/55/558403455.db2.gz AUEJSMWFSMIQKH-OAHLLOKOSA-N -1 0 409.463 4.605 50 0 HJAARM O=C([O-])Cc1csc(S[C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)n1 ZINC000012985899 558495138 /nfs/dbraw/zinc/49/51/38/558495138.db2.gz KFISIHIZTHWJCE-FQEVSTJZSA-N -1 0 408.504 4.968 50 0 HJAARM Cc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000013265341 558528175 /nfs/dbraw/zinc/52/81/75/558528175.db2.gz MEVXCEBVXXLDGS-NRFANRHFSA-N -1 0 401.528 4.537 50 0 HJAARM O=C(/C=C/c1ccc(Cl)cc1)Nc1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000023172613 558540139 /nfs/dbraw/zinc/54/01/39/558540139.db2.gz NCQJENCEMFTXGQ-FMIVXFBMSA-N -1 0 418.927 4.854 50 0 HJAARM Cc1ccc(-c2cc(C(=O)[O-])n3nc4nc(C(F)(F)F)cc(C5CC5)c4c3n2)cc1 ZINC000013645057 558556346 /nfs/dbraw/zinc/55/63/46/558556346.db2.gz XQNRUCKRKPLMEF-UHFFFAOYSA-N -1 0 412.371 4.847 50 0 HJAARM O=C(Nc1cccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1)c1ccco1 ZINC000023397278 558556733 /nfs/dbraw/zinc/55/67/33/558556733.db2.gz ZUQZPPJLYOVXBD-UHFFFAOYSA-N -1 0 411.266 4.640 50 0 HJAARM CC(C)Cc1nn2c(/C=C3\SC(=S)N=C3[O-])c(-c3ccccc3)nc2s1 ZINC000013815035 558596045 /nfs/dbraw/zinc/59/60/45/558596045.db2.gz QLVJHUQWWRUAIR-LCYFTJDESA-N -1 0 400.554 4.985 50 0 HJAARM O=C([O-])C[C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000004581060 558767161 /nfs/dbraw/zinc/76/71/61/558767161.db2.gz COQIHJOGQUWZIG-GFCCVEGCSA-N -1 0 401.768 4.511 50 0 HJAARM Cc1ccc2nc(-c3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3)cc(C(=O)[O-])c2c1 ZINC000016193166 558777353 /nfs/dbraw/zinc/77/73/53/558777353.db2.gz RGULEELSAFQNCT-ROUUACIJSA-N -1 0 414.461 4.588 50 0 HJAARM Cc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1NC(=O)c1ccc(Cl)cc1 ZINC000004820701 558780981 /nfs/dbraw/zinc/78/09/81/558780981.db2.gz QYBUMPKJXKRXIB-ZWKOTPCHSA-N -1 0 412.873 4.506 50 0 HJAARM O=c1cc(-c2ccccc2)[n-]n1-c1nc(-c2ccccc2)cc(-c2ccccc2O)n1 ZINC000004957740 558781253 /nfs/dbraw/zinc/78/12/53/558781253.db2.gz DUSWXRBOOHTAAE-UHFFFAOYSA-N -1 0 406.445 4.662 50 0 HJAARM Cc1nn(Cc2ccccc2C)c(C)c1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000017089007 558817633 /nfs/dbraw/zinc/81/76/33/558817633.db2.gz GVSWVTNJCQFNKB-UHFFFAOYSA-N -1 0 411.571 4.955 50 0 HJAARM O=C([O-])[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1c1ccccc1 ZINC000039778396 558822553 /nfs/dbraw/zinc/82/25/53/558822553.db2.gz GHKDFAVPKIFJQB-GOTSBHOMSA-N -1 0 413.473 4.736 50 0 HJAARM O=C([O-])[C@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCc2ccccc21 ZINC000039927545 558822757 /nfs/dbraw/zinc/82/27/57/558822757.db2.gz KPLHSCIAHSZYFS-SANMLTNESA-N -1 0 413.473 4.842 50 0 HJAARM Cc1ccc(CC(=O)Nc2ccc3nc(N4CCCCCC4)cc(C(=O)[O-])c3c2)cc1 ZINC000033010226 558829610 /nfs/dbraw/zinc/82/96/10/558829610.db2.gz IZAGXPJNZNJFQD-UHFFFAOYSA-N -1 0 417.509 4.803 50 0 HJAARM CCc1ccccc1[N-]S(=O)(=O)c1cc(-c2cc(C(F)(F)F)[nH]n2)sc1C ZINC000033173800 558902144 /nfs/dbraw/zinc/90/21/44/558902144.db2.gz STTNSOYHPQSKOO-UHFFFAOYSA-N -1 0 415.462 4.829 50 0 HJAARM CCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1C(=O)[O-] ZINC000033253315 558921181 /nfs/dbraw/zinc/92/11/81/558921181.db2.gz RDLMTXXXMKZUQP-UHFFFAOYSA-N -1 0 424.522 4.521 50 0 HJAARM Cc1nc2sc([C@H](c3cccc(Cl)c3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000023157809 559022560 /nfs/dbraw/zinc/02/25/60/559022560.db2.gz APBNOQZFBIWGQP-SFHVURJKSA-N -1 0 410.930 4.606 50 0 HJAARM CC(C)N(CCCCOCC(=O)[O-])c1cnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000001553986 560182179 /nfs/dbraw/zinc/18/21/79/560182179.db2.gz OJQMKCBWYCWFPU-UHFFFAOYSA-N -1 0 419.525 4.907 50 0 in-vitro HJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NCc2cccs2)c(C)c1 ZINC000017208608 560703987 /nfs/dbraw/zinc/70/39/87/560703987.db2.gz CLHJMUALXPMSGA-UHFFFAOYSA-N -1 0 424.551 4.721 50 0 HJAARM CCc1ccccc1NC(=O)Cc1c(C)[n-]n(-c2nc(-c3ccccc3)cs2)c1=O ZINC000101831188 560802923 /nfs/dbraw/zinc/80/29/23/560802923.db2.gz FRVWRUBYBGNQSM-UHFFFAOYSA-N -1 0 418.522 4.753 50 0 HJAARM CCOC(=O)C(=C(O)CSc1nc(-c2ccccc2)cs1)c1nc(C)cs1 ZINC000103076155 560837642 /nfs/dbraw/zinc/83/76/42/560837642.db2.gz DWHMZHOJPCCTEJ-INIZCTEOSA-N -1 0 418.565 4.583 50 0 HJAARM CC(C)OC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000005727285 560854488 /nfs/dbraw/zinc/85/44/88/560854488.db2.gz HYEXJGHCCCQSNE-HOTGVXAUSA-N -1 0 413.495 4.586 50 0 HJAARM Cc1ccc(C2C(=O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(C(=O)[O-])cc2)cc1 ZINC000045941973 568422269 /nfs/dbraw/zinc/42/22/69/568422269.db2.gz YKPRUHYVXMQXGU-JOCHJYFZSA-N -1 0 417.436 4.885 50 0 HJAARM Cc1ccc(C2C(=O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(C(=O)[O-])cc2)cc1 ZINC000045942081 568422404 /nfs/dbraw/zinc/42/24/04/568422404.db2.gz SAKPQUJNIRLTDJ-OAQYLSRUSA-N -1 0 403.409 4.890 50 0 HJAARM Cc1ccc(C(=O)Nc2ccc(N3CC[C@@H](c4ccccc4)C3)c(C(=O)[O-])c2)cc1 ZINC000046053647 568425369 /nfs/dbraw/zinc/42/53/69/568425369.db2.gz XOJQJSPQSJTZKT-HXUWFJFHSA-N -1 0 400.478 4.939 50 0 HJAARM CCc1nc2sc([C@H](c3ccccc3Cl)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000012341914 568483225 /nfs/dbraw/zinc/48/32/25/568483225.db2.gz ILKNPSBKDWVQAQ-IBGZPJMESA-N -1 0 424.957 4.860 50 0 HJAARM O=C([O-])c1cc(-c2ccc(F)cc2)nc2n[nH]c(-c3ccc(Br)cc3)c21 ZINC000020492107 568614956 /nfs/dbraw/zinc/61/49/56/568614956.db2.gz CVZDBEFXZLSWAW-UHFFFAOYSA-N -1 0 412.218 4.892 50 0 HJAARM COc1cccc(-c2[nH]nc3nc(-c4ccc(OC(F)F)cc4)cc(C(=O)[O-])c32)c1 ZINC000020850821 568644992 /nfs/dbraw/zinc/64/49/92/568644992.db2.gz OKQLFURIWURCAY-UHFFFAOYSA-N -1 0 411.364 4.600 50 0 HJAARM COC(=O)C[C@H](c1ccccc1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096114089 568693478 /nfs/dbraw/zinc/69/34/78/568693478.db2.gz AAAAWQOPBUPWEV-QGZVFWFLSA-N -1 0 416.429 4.566 50 0 biogenic HJAARM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2ccc(F)c(F)c2F)S1 ZINC000096117333 568697058 /nfs/dbraw/zinc/69/70/58/568697058.db2.gz FGWCDZCYJMPXTM-QLJPJBMISA-N -1 0 411.449 4.610 50 0 HJAARM O=C(c1ccc2c(c1)[n-]c(=S)n(CCC1=CCCCC1)c2=O)N1CCCCCC1 ZINC000003043771 568848247 /nfs/dbraw/zinc/84/82/47/568848247.db2.gz FCQUQDBJHIZZBF-UHFFFAOYSA-N -1 0 411.571 4.966 50 0 HJAARM COc1ccc(CN(C(=O)COc2c(C)cccc2C)c2ccccc2C(=O)[O-])cc1 ZINC000003260193 568868835 /nfs/dbraw/zinc/86/88/35/568868835.db2.gz XUYOVYAFEJUVBX-UHFFFAOYSA-N -1 0 419.477 4.622 50 0 HJAARM CN(CCOc1ccc(Br)cc1)C(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC000003323538 568880709 /nfs/dbraw/zinc/88/07/09/568880709.db2.gz GQFZHBCSGKWFMO-UHFFFAOYSA-N -1 0 419.102 4.613 50 0 HJAARM Cc1ccc(S(=O)(=O)[N-]c2c3ncn(Cc4ccccc4)c3cc(C)c2C)cc1 ZINC000001385927 568922542 /nfs/dbraw/zinc/92/25/42/568922542.db2.gz CDCUHJPTYIIQEH-UHFFFAOYSA-N -1 0 405.523 4.811 50 0 HJAARM Cn1c2ccccc2c(CC(=O)Nc2ccc(Oc3ccccc3)cc2)c1C(=O)[O-] ZINC000003660267 568923490 /nfs/dbraw/zinc/92/34/90/568923490.db2.gz FLOWVOUGZPRABJ-UHFFFAOYSA-N -1 0 400.434 4.850 50 0 HJAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)c1 ZINC000028813220 568986353 /nfs/dbraw/zinc/98/63/53/568986353.db2.gz WBDUTIZOBKXTER-UHFFFAOYSA-N -1 0 415.511 4.545 50 0 HJAARM CCCCC(=O)Nc1ccc(N2CCN(c3cccc(C)c3)[C@H](C)C2)c(C(=O)[O-])c1 ZINC000035196700 569005122 /nfs/dbraw/zinc/00/51/22/569005122.db2.gz KRYXBIWUUYLTOR-GOSISDBHSA-N -1 0 409.530 4.537 50 0 HJAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)c(C)c1 ZINC000085664698 569006606 /nfs/dbraw/zinc/00/66/06/569006606.db2.gz PCKJVDJIPFFFTG-UHFFFAOYSA-N -1 0 401.435 4.575 50 0 HJAARM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1 ZINC000085664690 569006621 /nfs/dbraw/zinc/00/66/21/569006621.db2.gz NDRBUNYXFHGGHL-UHFFFAOYSA-N -1 0 421.853 4.920 50 0 HJAARM COC(=O)C[C@@H](c1ccccc1)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000085877942 569009641 /nfs/dbraw/zinc/00/96/41/569009641.db2.gz OTSDTXFYHDCDNR-IBGZPJMESA-N -1 0 416.429 4.566 50 0 biogenic HJAARM Cc1ccc(C(=O)NCc2n[n-]c(=S)n2-c2ccc(Cl)c(Cl)c2)cc1C ZINC000006390891 569046483 /nfs/dbraw/zinc/04/64/83/569046483.db2.gz PRWLDNFGEKGXKR-UHFFFAOYSA-N -1 0 407.326 4.784 50 0 HJAARM CCCC[C@H](CC)[C@@H]1[C@@H]2C(=O)N(c3ccc(C)cc3)C([O-])=C2ON1c1ccccc1 ZINC000245311318 569055657 /nfs/dbraw/zinc/05/56/57/569055657.db2.gz NJBXYNKCLWDUAR-IITNATTFSA-N -1 0 406.526 4.890 50 0 HJAARM CC(=O)c1ccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2onc(C)c2C)cc1 ZINC000064845666 569108077 /nfs/dbraw/zinc/10/80/77/569108077.db2.gz DZKRGMGHWPSUAC-UHFFFAOYSA-N -1 0 404.513 4.640 50 0 HJAARM CCOc1ccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2onc(C)c2C)cc1 ZINC000064845756 569108184 /nfs/dbraw/zinc/10/81/84/569108184.db2.gz GNNJILHUPYMFSI-UHFFFAOYSA-N -1 0 406.529 4.836 50 0 HJAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1c(C)sc(C)c1-c1onc(C)c1C ZINC000064845877 569108236 /nfs/dbraw/zinc/10/82/36/569108236.db2.gz ZMJFMHBRZMAONA-UHFFFAOYSA-N -1 0 406.529 4.755 50 0 HJAARM O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1ccc(-c2nnc(C3CCC3)o2)s1 ZINC000064920589 569121244 /nfs/dbraw/zinc/12/12/44/569121244.db2.gz UCNUALJXXYWPFO-UHFFFAOYSA-N -1 0 413.883 4.659 50 0 HJAARM COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)[N-]c1c(C)cc(C)cc1C ZINC000006887719 569171210 /nfs/dbraw/zinc/17/12/10/569171210.db2.gz UCXDJGNRPMWJMD-UHFFFAOYSA-N -1 0 400.500 4.693 50 0 HJAARM Cc1c(Cl)cccc1NC(=O)c1c([O-])c2c3c(sc2[nH]c1=O)C[C@H](C)CC3 ZINC000065150425 569184838 /nfs/dbraw/zinc/18/48/38/569184838.db2.gz HITUWJJTTLHJIG-SECBINFHSA-N -1 0 402.903 4.634 50 0 HJAARM Cc1n[nH]c(SC(=Cc2ccc(-c3ccc(C)cc3Br)o2)C(=O)[O-])n1 ZINC000017248637 569276873 /nfs/dbraw/zinc/27/68/73/569276873.db2.gz GXTOLERPGWXBFN-OVCLIPMQSA-N -1 0 420.288 4.662 50 0 HJAARM Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(C)c(F)c2)c1 ZINC000017249788 569276996 /nfs/dbraw/zinc/27/69/96/569276996.db2.gz DCGQIKIPPCPYDG-UHFFFAOYSA-N -1 0 422.485 4.930 50 0 HJAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3csc(C)n3)ccc2OC)cc1Cl ZINC000013358253 569411643 /nfs/dbraw/zinc/41/16/43/569411643.db2.gz NBQIKJFMKZALBY-UHFFFAOYSA-N -1 0 424.931 4.590 50 0 HJAARM C[C@H](CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000040030634 571140795 /nfs/dbraw/zinc/14/07/95/571140795.db2.gz SMUKXHXSGVFHLW-OAHLLOKOSA-N -1 0 400.525 4.681 50 0 HJAARM CCc1ccc([N-]S(=O)(=O)c2c(-c3ccc(C)cc3)csc2C(=O)OC)cc1 ZINC000009002253 571209745 /nfs/dbraw/zinc/20/97/45/571209745.db2.gz PAODYWBLIAETQB-UHFFFAOYSA-N -1 0 415.536 4.873 50 0 HJAARM O=C([O-])c1cc(-c2ccc(C=Cc3cc(C(F)(F)F)nc(=O)[nH]3)o2)ccc1Cl ZINC000009057549 571216871 /nfs/dbraw/zinc/21/68/71/571216871.db2.gz CTDXDBQSPXNRML-NSCUHMNNSA-N -1 0 410.735 4.571 50 0 HJAARM CCCC[C@@H](Sc1nnc(NC(=O)Nc2ccc(Cl)cc2)s1)C(=O)[O-] ZINC000009324338 571248132 /nfs/dbraw/zinc/24/81/32/571248132.db2.gz SNMYWZVZEOFEPS-LLVKDONJSA-N -1 0 400.913 4.571 50 0 HJAARM CCCCn1nc([N-]S(=O)(=O)c2ccc(OC)cc2)c2cc3ccc(C)cc3nc21 ZINC000009487772 571262544 /nfs/dbraw/zinc/26/25/44/571262544.db2.gz VPOUBSFLZQEWEH-UHFFFAOYSA-N -1 0 424.526 4.502 50 0 HJAARM COc1cccc([C@H](CC(=O)c2ccccc2)c2c([O-])c3ccccc3oc2=O)c1 ZINC000019897604 524159080 /nfs/dbraw/zinc/15/90/80/524159080.db2.gz ZHRHQHWXSJKWCL-FQEVSTJZSA-N -1 0 400.430 4.912 50 0 HJAARM Cc1nc(-c2ccc(Cl)cc2Cl)sc1C(=O)NCCCCCC(=O)[O-] ZINC000040284949 526573391 /nfs/dbraw/zinc/57/33/91/526573391.db2.gz LJMXFEKQKDULJI-UHFFFAOYSA-N -1 0 401.315 4.800 50 0 HJAARM O=C([O-])[C@H](Cc1ccc(Cl)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000000621938 557019032 /nfs/dbraw/zinc/01/90/32/557019032.db2.gz CQPNKLNINBUUOM-QFIPXVFZSA-N -1 0 421.880 4.874 50 0 HJAARM COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c(Cl)c1Cl ZINC000000628832 557024618 /nfs/dbraw/zinc/02/46/18/557024618.db2.gz MKZPNLDLEFOEHT-UHFFFAOYSA-N -1 0 400.205 4.822 50 0 HJAARM O=C([O-])CCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCCC2 ZINC000000722393 557071241 /nfs/dbraw/zinc/07/12/41/557071241.db2.gz YXHCZKGTYLISLW-UHFFFAOYSA-N -1 0 420.918 4.726 50 0 HJAARM Cc1cc([N-]S(=O)(=O)c2ccc(Nc3nc(-c4ccccc4)cs3)cc2)no1 ZINC000000813362 557088430 /nfs/dbraw/zinc/08/84/30/557088430.db2.gz YOJKVZGSEXCBPP-UHFFFAOYSA-N -1 0 412.496 4.651 50 0 HJAARM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000001040077 557152886 /nfs/dbraw/zinc/15/28/86/557152886.db2.gz PIEMHZVQZOXBAI-UHFFFAOYSA-N -1 0 408.810 4.876 50 0 HJAARM COc1ccc([C@H]2[C@H](C(=O)[O-])c3ccccc3C(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000001041571 557153681 /nfs/dbraw/zinc/15/36/81/557153681.db2.gz WJQMZXHQQRBUBD-YADHBBJMSA-N -1 0 421.880 4.914 50 0 HJAARM CC(C)CCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000002265537 557332940 /nfs/dbraw/zinc/33/29/40/557332940.db2.gz LWQOZBDYCUCXNK-UHFFFAOYSA-N -1 0 404.923 4.542 50 0 HJAARM O=C([O-])C[C@H](Cc1ccccc1F)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002385932 557342929 /nfs/dbraw/zinc/34/29/29/557342929.db2.gz QGZZXPYYCHIOHR-KRWDZBQOSA-N -1 0 419.452 4.750 50 0 HJAARM O=C([O-])C[C@@H](Cc1ccc(F)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002385807 557342977 /nfs/dbraw/zinc/34/29/77/557342977.db2.gz LTBGWPINKRNSDL-GOSISDBHSA-N -1 0 419.452 4.750 50 0 HJAARM CCOC(=O)c1c(NC(=O)/C=C/C(=O)[O-])sc(C)c1-c1ccc(C(C)(C)C)cc1 ZINC000002758376 557380670 /nfs/dbraw/zinc/38/06/70/557380670.db2.gz KKTFFPJFLJNMLG-VAWYXSNFSA-N -1 0 415.511 4.777 50 0 HJAARM O=C([O-])CCCCn1c(=O)c2sccc2nc1SCc1ccccc1Cl ZINC000002925510 557427484 /nfs/dbraw/zinc/42/74/84/557427484.db2.gz LYBMSWWYNFBKPP-UHFFFAOYSA-N -1 0 408.932 4.659 50 0 HJAARM Cc1ccccc1C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000004208802 557528878 /nfs/dbraw/zinc/52/88/78/557528878.db2.gz GYFMRMRGTNDDAT-HSZRJFAPSA-N -1 0 401.462 4.529 50 0 HJAARM Cc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])c(C)c1 ZINC000004241903 557531763 /nfs/dbraw/zinc/53/17/63/557531763.db2.gz MXBSNHLSKRVUBF-DEOSSOPVSA-N -1 0 415.489 4.838 50 0 HJAARM COc1ccc(Oc2cccc(Cl)c2CNC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000004325135 557541888 /nfs/dbraw/zinc/54/18/88/557541888.db2.gz YHWLXJQTSRCXOA-UHFFFAOYSA-N -1 0 411.841 4.769 50 0 HJAARM CCCCC1CCC(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)CC1 ZINC000005028183 557627503 /nfs/dbraw/zinc/62/75/03/557627503.db2.gz QGTASYZOEAUSKE-UHFFFAOYSA-N -1 0 421.588 4.879 50 0 HJAARM CC1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2cccc(F)c2)CC1 ZINC000022852171 557839872 /nfs/dbraw/zinc/83/98/72/557839872.db2.gz BFQYEQXCUSBNPS-KRWDZBQOSA-N -1 0 412.490 4.717 50 0 HJAARM COc1cccc([C@@H]2Nc3c(C(=O)[O-])cccc3[C@H]3c4ccccc4C[C@H]32)c1OC ZINC000004458475 558590191 /nfs/dbraw/zinc/59/01/91/558590191.db2.gz REQDACGXRQSKGJ-LSWJPFSZSA-N -1 0 401.462 4.873 50 0 HJAARM O=C([O-])C[C@H](NC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(Cl)cc1 ZINC000004482387 558602828 /nfs/dbraw/zinc/60/28/28/558602828.db2.gz TUXPNKVOZWRKBX-SFHVURJKSA-N -1 0 407.853 4.910 50 0 HJAARM O=C([O-])C[C@@H](NC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(Cl)cc1 ZINC000004581483 558771172 /nfs/dbraw/zinc/77/11/72/558771172.db2.gz TUXPNKVOZWRKBX-GOSISDBHSA-N -1 0 407.853 4.910 50 0 HJAARM O=S(=O)([N-]c1ccc(-c2cn3cccnc3n2)cc1)c1cc(Cl)ccc1Cl ZINC000016447775 558791693 /nfs/dbraw/zinc/79/16/93/558791693.db2.gz ZXPHNDWKJURHJI-UHFFFAOYSA-N -1 0 419.293 4.504 50 0 HJAARM CCc1c(C)sc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1C(=O)Nc1ccccc1 ZINC000017090003 558818544 /nfs/dbraw/zinc/81/85/44/558818544.db2.gz UBECMZUKCDZGFT-IAGOWNOFSA-N -1 0 414.527 4.701 50 0 HJAARM Cc1ccccc1NC(=O)c1c(NC(=O)C[C@@H](C)CC(=O)[O-])sc2c1CCCC2 ZINC000017090007 558818546 /nfs/dbraw/zinc/81/85/46/558818546.db2.gz UPCVMALEVLGIFI-CYBMUJFWSA-N -1 0 414.527 4.627 50 0 HJAARM Cc1cccc(C(=O)Nc2ccc3nc(N4CCC(C)CC4)cc(C(=O)[O-])c3c2)c1 ZINC000033010214 558829641 /nfs/dbraw/zinc/82/96/41/558829641.db2.gz HKJDFOAYOVHJBP-UHFFFAOYSA-N -1 0 403.482 4.730 50 0 HJAARM C[C@@H]1CC[C@H]2C(=O)N(c3cccc(-c4cc(C(=O)[O-])c5ccccc5n4)c3)C(=O)[C@@H]2C1 ZINC000018244102 558834433 /nfs/dbraw/zinc/83/44/33/558834433.db2.gz KRHLFRKHJGTREM-NIKGAXFTSA-N -1 0 414.461 4.526 50 0 HJAARM CCc1cccc([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)[nH]n3)sc2C)c1 ZINC000033173864 558902163 /nfs/dbraw/zinc/90/21/63/558902163.db2.gz IAUCCHZZMFQNLI-UHFFFAOYSA-N -1 0 415.462 4.829 50 0 HJAARM CCCN(CCC)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1C(=O)[O-] ZINC000033253487 558921507 /nfs/dbraw/zinc/92/15/07/558921507.db2.gz SODCTGMZRDBRBZ-UHFFFAOYSA-N -1 0 418.559 4.737 50 0 HJAARM Cc1ccc([N-]S(=O)(=O)c2ccccc2-c2nc(-c3cccc(F)c3)no2)cc1 ZINC000033307180 559051997 /nfs/dbraw/zinc/05/19/97/559051997.db2.gz FKKFYKIORDOPKI-UHFFFAOYSA-N -1 0 409.442 4.652 50 0 HJAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072924 559126455 /nfs/dbraw/zinc/12/64/55/559126455.db2.gz ONNLOIORPMBNOD-UHFFFAOYSA-N -1 0 424.238 4.667 50 0 HJAARM Cc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000004865389 559193759 /nfs/dbraw/zinc/19/37/59/559193759.db2.gz FUBOGCJYAYRPCO-UHFFFAOYSA-N -1 0 406.916 4.763 50 0 HJAARM O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccccc1Cl ZINC000136091747 559276465 /nfs/dbraw/zinc/27/64/65/559276465.db2.gz OFKPVWCNHNMZRD-PCCBWWKXSA-N -1 0 422.843 4.530 50 0 HJAARM CC(C)(C)c1cc(N2C(=O)C(c3ccc(F)cc3)=C([O-])C2=C(O)c2ccccc2)no1 ZINC000136552239 560598492 /nfs/dbraw/zinc/59/84/92/560598492.db2.gz VSBPWAUWPPXJAW-FQEVSTJZSA-N -1 0 420.440 4.679 50 0 HJAARM Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)C=Cc1ccc(Cl)cc1Cl ZINC000001156526 560727415 /nfs/dbraw/zinc/72/74/15/560727415.db2.gz RBFMVBNMUSLIBE-FNORWQNLSA-N -1 0 409.294 4.526 50 0 HJAARM O=C(NC1CCCCC1)c1ccc2[nH]cc3c(=O)n(-c4ccc(Cl)cc4)nc-3c2c1 ZINC000101282158 560790532 /nfs/dbraw/zinc/79/05/32/560790532.db2.gz BZLDAKFOFLCOIY-UHFFFAOYSA-N -1 0 420.900 4.535 50 0 HJAARM CC(C)OC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)CCC(=O)[O-] ZINC000005727531 560854473 /nfs/dbraw/zinc/85/44/73/560854473.db2.gz IEBSIKNEONIWTR-UHFFFAOYSA-N -1 0 403.500 4.907 50 0 HJAARM Cc1cccc(CN(CC(=O)[O-])C(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC000309590887 560855373 /nfs/dbraw/zinc/85/53/73/560855373.db2.gz GFCOUHQJYIFXJZ-UHFFFAOYSA-N -1 0 401.462 4.831 50 0 HJAARM Cc1cc(-c2csc(S(=O)(=O)[N-]c3ccc(Br)c(C)c3)c2)on1 ZINC000033290249 568513782 /nfs/dbraw/zinc/51/37/82/568513782.db2.gz LTQSTAUYQHAVKM-UHFFFAOYSA-N -1 0 413.318 4.583 50 0 HJAARM COc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2c2nc3ccccc3s2)cc1C(=O)[O-] ZINC000225482397 568641847 /nfs/dbraw/zinc/64/18/47/568641847.db2.gz DVYJDRKRDFVGBI-CVEARBPZSA-N -1 0 424.522 4.593 50 0 HJAARM Cc1cc(C)c(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccs4)[C@@H]3C2=O)c(C)c1 ZINC000229979379 568716237 /nfs/dbraw/zinc/71/62/37/568716237.db2.gz GGXVKOKJHJWILE-KSEOMHKRSA-N -1 0 418.518 4.724 50 0 HJAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1C ZINC000002656473 568797990 /nfs/dbraw/zinc/79/79/90/568797990.db2.gz NIMVKAFQPPGRKT-UHFFFAOYSA-N -1 0 404.713 4.610 50 0 HJAARM CCOC(=O)c1c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)sc2c1CCCC2 ZINC000002727768 568804077 /nfs/dbraw/zinc/80/40/77/568804077.db2.gz FQYIKJHQWOJIDU-UHFFFAOYSA-N -1 0 407.557 4.530 50 0 HJAARM O=S(=O)([N-]c1cnn(Cc2ccc(Cl)c(Cl)c2)c1)c1ccc(Cl)cc1 ZINC000002767108 568807620 /nfs/dbraw/zinc/80/76/20/568807620.db2.gz LBUKCTLLIZXLOW-UHFFFAOYSA-N -1 0 416.717 4.692 50 0 HJAARM C[C@H]1CCCC[C@H]1NC(=O)C1CCC(Cn2c(=O)c3sccc3[n-]c2=S)CC1 ZINC000002925600 568817423 /nfs/dbraw/zinc/81/74/23/568817423.db2.gz XCXKJLOEFBJUCG-SLTXQBBLSA-N -1 0 419.616 4.622 50 0 HJAARM O=C(NCc1ccc(F)cc1)c1ccc2c(c1)[n-]c(=S)n(C1CCCCC1)c2=O ZINC000003631083 568921138 /nfs/dbraw/zinc/92/11/38/568921138.db2.gz JKGDZGADERNSRK-UHFFFAOYSA-N -1 0 411.502 4.633 50 0 HJAARM COc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(C2CCCCC2)c3=O)cc1 ZINC000003631081 568921240 /nfs/dbraw/zinc/92/12/40/568921240.db2.gz NMAFQNWUUSXQRE-UHFFFAOYSA-N -1 0 409.511 4.825 50 0 HJAARM CCCN(C(=O)Cc1c2cc(Cl)ccc2[nH]c1C(=O)[O-])c1ccc(OCC)cc1 ZINC000004920606 568947076 /nfs/dbraw/zinc/94/70/76/568947076.db2.gz ACTMDWQLBXRFEN-UHFFFAOYSA-N -1 0 414.889 4.904 50 0 HJAARM CCOc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000001436660 568957076 /nfs/dbraw/zinc/95/70/76/568957076.db2.gz NLFNQPYKWKZZSD-UHFFFAOYSA-N -1 0 420.494 4.573 50 0 HJAARM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1 ZINC000085664611 569006512 /nfs/dbraw/zinc/00/65/12/569006512.db2.gz VBAZFXJMMFKZPM-UHFFFAOYSA-N -1 0 407.826 4.611 50 0 HJAARM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1 ZINC000085664618 569006650 /nfs/dbraw/zinc/00/66/50/569006650.db2.gz CJYWTIRTDNUDPK-UHFFFAOYSA-N -1 0 421.853 4.920 50 0 HJAARM Cc1cnn(CCc2nc(=O)c3sc(-c4ccc(Cl)cc4Cl)cc3[n-]2)c1 ZINC000063925856 569034442 /nfs/dbraw/zinc/03/44/42/569034442.db2.gz MCFNRIMJVMYIQG-UHFFFAOYSA-N -1 0 405.310 4.706 50 0 HJAARM Cc1cccc([N-]S(=O)(=O)c2cc(-c3noc(C4CCCC4)n3)cs2)c1C ZINC000035557389 569044770 /nfs/dbraw/zinc/04/47/70/569044770.db2.gz YWUBHGYHYIEKPM-UHFFFAOYSA-N -1 0 403.529 4.873 50 0 HJAARM CCCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1OCCC ZINC000006623411 569075050 /nfs/dbraw/zinc/07/50/50/569075050.db2.gz JFKHNGBLVXVDHH-UHFFFAOYSA-N -1 0 401.887 4.858 50 0 HJAARM Cc1nn(C[C@H](C)c2n[n-]c(=S)n2-c2ccc(C)cc2C)c(C)c1Br ZINC000006626961 569076019 /nfs/dbraw/zinc/07/60/19/569076019.db2.gz ROYGYEYQVFUMTL-LBPRGKRZSA-N -1 0 420.380 4.926 50 0 HJAARM COc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000064670062 569079073 /nfs/dbraw/zinc/07/90/73/569079073.db2.gz ZBQUMUIVCLCKMG-UHFFFAOYSA-N -1 0 408.932 4.890 50 0 HJAARM Cc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2ccc4c(c2)OCO4)CC(=O)N3)cc1 ZINC000064796258 569096456 /nfs/dbraw/zinc/09/64/56/569096456.db2.gz TYTKYXZQWDHXCR-CQSZACIVSA-N -1 0 407.447 4.625 50 0 HJAARM CC(=O)c1cccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2onc(C)c2C)c1 ZINC000064845817 569108254 /nfs/dbraw/zinc/10/82/54/569108254.db2.gz GZKMAUYVACJUIY-UHFFFAOYSA-N -1 0 404.513 4.640 50 0 HJAARM COc1ccc(OC)c(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(Cl)cc3)n2)c1 ZINC000006748963 569108832 /nfs/dbraw/zinc/10/88/32/569108832.db2.gz ABWRNGYMVRMKBP-UHFFFAOYSA-N -1 0 409.829 4.661 50 0 HJAARM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(-c2nnc(C3CCC3)o2)s1 ZINC000064920507 569121106 /nfs/dbraw/zinc/12/11/06/569121106.db2.gz HRBJIIMLJRUTJR-UHFFFAOYSA-N -1 0 409.920 4.828 50 0 HJAARM CC(C)n1c(/C=C\[C@H](O)C[C@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c2ccccc21 ZINC000008582318 569172894 /nfs/dbraw/zinc/17/28/94/569172894.db2.gz FJLGEFLZQAZZCD-NZHGRCMVSA-N -1 0 411.473 4.628 50 0 HJAARM O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1ccc(-c2nnc(C3CCCC3)o2)o1 ZINC000065246478 569205585 /nfs/dbraw/zinc/20/55/85/569205585.db2.gz UJSYKLBEZCDKJV-UHFFFAOYSA-N -1 0 411.842 4.581 50 0 HJAARM Cc1ccc(S(=O)(=O)[N-]c2nc(-c3ccccc3)cc(-c3ccccc3O)n2)cc1 ZINC000036656497 569216760 /nfs/dbraw/zinc/21/67/60/569216760.db2.gz VXVGHKSETCDIQI-UHFFFAOYSA-N -1 0 417.490 4.625 50 0 HJAARM Cc1ccc(C)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000002422173 569398174 /nfs/dbraw/zinc/39/81/74/569398174.db2.gz RGDNEELBTCLQJH-UHFFFAOYSA-N -1 0 422.485 4.930 50 0 HJAARM COc1cccc(-c2[nH]nc3nc(-c4ccc(Br)cc4)cc(C(=O)[O-])c32)c1 ZINC000013363563 569412056 /nfs/dbraw/zinc/41/20/56/569412056.db2.gz CUKITYZOTIYHKV-UHFFFAOYSA-N -1 0 424.254 4.761 50 0 HJAARM COc1cccc(-c2[nH]nc3nc(-c4cccc(Br)c4)cc(C(=O)[O-])c32)c1 ZINC000013363559 569412079 /nfs/dbraw/zinc/41/20/79/569412079.db2.gz GLDCMTQJRQBCSA-UHFFFAOYSA-N -1 0 424.254 4.761 50 0 HJAARM O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)[O-])c(OC(=O)/C=C/c2ccccc2)c1 ZINC000039930651 571134924 /nfs/dbraw/zinc/13/49/24/571134924.db2.gz WACUVOCWCFTSCS-JOBJLJCHSA-N -1 0 413.429 4.656 50 0 HJAARM O=C(c1cccc([N-]S(=O)(=O)c2cccs2)c1)N1CCC[C@@H]1c1ccsc1 ZINC000040154676 571201729 /nfs/dbraw/zinc/20/17/29/571201729.db2.gz LTNVARRZQCIOAB-QGZVFWFLSA-N -1 0 418.565 4.588 50 0 HJAARM O=c1nc(SCc2cccc(C(F)(F)F)c2)nc2c(-c3ccc(F)cc3)c[n-]n21 ZINC000009106867 571221913 /nfs/dbraw/zinc/22/19/13/571221913.db2.gz CDTNAHAQUPCUPQ-UHFFFAOYSA-N -1 0 420.391 4.535 50 0 HJAARM Cc1n[nH]c(SC(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)[O-])n1 ZINC000009359893 571251471 /nfs/dbraw/zinc/25/14/71/571251471.db2.gz YZPAKFDDNVAXMJ-YVLHZVERSA-N -1 0 401.875 4.563 50 0 HJAARM O=S(=O)([N-]c1cccc(-c2nc3cccnc3s2)c1)c1ccccc1Cl ZINC000004200730 571316232 /nfs/dbraw/zinc/31/62/32/571316232.db2.gz VXMFEZFDBFODRS-UHFFFAOYSA-N -1 0 401.900 4.813 50 0 HJAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3cccc(Cl)c3Cl)C2)cc1 ZINC000225848482 523875436 /nfs/dbraw/zinc/87/54/36/523875436.db2.gz NRIVHJNMNFNXES-KRWDZBQOSA-N -1 0 421.280 4.545 50 0 HJAARM CCc1ccc(N2C(=O)C(=Cc3ccc(N4CCCCC4)cc3)C(=O)[N-]C2=S)cc1 ZINC000000977328 523961649 /nfs/dbraw/zinc/96/16/49/523961649.db2.gz NIYSAPJIYBBENI-LTGZKZEYSA-N -1 0 419.550 4.911 50 0 HJAARM O=C([O-])c1cc(-c2ccccc2F)nc2n[nH]c(-c3ccc(Br)cc3)c21 ZINC000020492115 526342805 /nfs/dbraw/zinc/34/28/05/526342805.db2.gz QWKSWSOYXTVEIR-UHFFFAOYSA-N -1 0 412.218 4.892 50 0 HJAARM Nc1c2cc3c(nc2sc1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)CCCCC3 ZINC000020034661 527438256 /nfs/dbraw/zinc/43/82/56/527438256.db2.gz JRZBXSNCJQMFOH-UHFFFAOYSA-N -1 0 415.902 4.751 50 0 HJAARM O=C([O-])CC1(CNC(=O)Cc2csc(-c3ccccc3Cl)n2)CCCCC1 ZINC000040284007 527568095 /nfs/dbraw/zinc/56/80/95/527568095.db2.gz OCULQJURZOGFJW-UHFFFAOYSA-N -1 0 406.935 4.547 50 0 HJAARM O=C([O-])CCCC(=O)Nc1scc(-c2ccccc2)c1C(=O)NCc1ccccc1 ZINC000017093119 527576306 /nfs/dbraw/zinc/57/63/06/527576306.db2.gz KPKYSDVGEZRRNY-UHFFFAOYSA-N -1 0 422.506 4.539 50 0 HJAARM O=C(Nc1cccc(Cl)c1)c1cc(Br)cc(Br)c1[O-] ZINC000000813270 557088405 /nfs/dbraw/zinc/08/84/05/557088405.db2.gz NOBGQGXPNOIMQT-UHFFFAOYSA-N -1 0 405.473 4.823 50 0 HJAARM C[C@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000000722402 557071252 /nfs/dbraw/zinc/07/12/52/557071252.db2.gz NDMSQUJTCFTSNS-NSHDSACASA-N -1 0 420.918 4.582 50 0 HJAARM CC[C@H](C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1)c1ccccc1 ZINC000001116157 557187129 /nfs/dbraw/zinc/18/71/29/557187129.db2.gz PPQXZDGSEDMLDI-IBGZPJMESA-N -1 0 402.450 4.769 50 0 HJAARM Cc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)c(C)c1 ZINC000001158089 557215970 /nfs/dbraw/zinc/21/59/70/557215970.db2.gz YXHMXOPVSXRAKF-UHFFFAOYSA-N -1 0 404.495 4.791 50 0 HJAARM COc1ccc(Oc2cccc(Cl)c2CNC(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000004325136 557541866 /nfs/dbraw/zinc/54/18/66/557541866.db2.gz OQYJWKAQURXOJH-UHFFFAOYSA-N -1 0 405.878 4.648 50 0 HJAARM CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000004614483 557572513 /nfs/dbraw/zinc/57/25/13/557572513.db2.gz WCKFQTUDRVHYPL-HOTGVXAUSA-N -1 0 413.495 4.506 50 0 HJAARM Cc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1NC(=O)c1ccc(Cl)cc1 ZINC000004821098 557602832 /nfs/dbraw/zinc/60/28/32/557602832.db2.gz ZOISKPLTSQOPMV-ROUUACIJSA-N -1 0 414.889 4.730 50 0 HJAARM COc1ccc(-c2c(Cc3ccccc3)[n-]n3c2nc(Cc2ccccc2)cc3=O)cc1 ZINC000005019288 557626627 /nfs/dbraw/zinc/62/66/27/557626627.db2.gz PJUOFHOZOLCYLO-UHFFFAOYSA-N -1 0 421.500 4.880 50 0 HJAARM [O-]c1c([C@@H](c2ccccc2Cl)N2CCCC2)sc2nc(-c3ccco3)nn12 ZINC000022851831 557839556 /nfs/dbraw/zinc/83/95/56/557839556.db2.gz YFXGJNMYRPAQCK-OAHLLOKOSA-N -1 0 400.891 4.595 50 0 HJAARM O=C(c1ccc([O-])c(Cl)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000021004189 558428509 /nfs/dbraw/zinc/42/85/09/558428509.db2.gz BCYLRFUQYRDQGY-UHFFFAOYSA-N -1 0 406.913 4.593 50 0 HJAARM O=C([O-])C1CCN(C(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)CC1 ZINC000014119223 558622064 /nfs/dbraw/zinc/62/20/64/558622064.db2.gz WLSZZWQBPVXJQI-UHFFFAOYSA-N -1 0 400.887 4.554 50 0 HJAARM Cc1ccc2nc(-c3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3)cc(C(=O)[O-])c2c1 ZINC000004554332 558721885 /nfs/dbraw/zinc/72/18/85/558721885.db2.gz RGULEELSAFQNCT-QZTJIDSGSA-N -1 0 414.461 4.588 50 0 HJAARM CCCCOc1ccccc1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000004569135 558736948 /nfs/dbraw/zinc/73/69/48/558736948.db2.gz KLFRMWHMTQGYNF-UHFFFAOYSA-N -1 0 402.285 4.568 50 0 HJAARM COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccccc2)c(C(=O)[O-])c1OC ZINC000005198068 558781538 /nfs/dbraw/zinc/78/15/38/558781538.db2.gz NCNNUBANTUCMRY-FQEVSTJZSA-N -1 0 402.450 4.758 50 0 HJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NCc2ccccc2)cc1C ZINC000016956467 558810160 /nfs/dbraw/zinc/81/01/60/558810160.db2.gz DNDFFZITZONMIH-UHFFFAOYSA-N -1 0 418.522 4.660 50 0 HJAARM Cc1cccc(NC(=O)c2c(NC(=O)C[C@@H](C)CC(=O)[O-])sc3c2CCCC3)c1 ZINC000017090015 558818527 /nfs/dbraw/zinc/81/85/27/558818527.db2.gz YSQMWJSXOYYNCB-CQSZACIVSA-N -1 0 414.527 4.627 50 0 HJAARM CCc1sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c(C(=O)OC)c1-c1ccccc1 ZINC000017090325 558818978 /nfs/dbraw/zinc/81/89/78/558818978.db2.gz KCKYVNCGERSSQD-GJZGRUSLSA-N -1 0 415.511 4.594 50 0 HJAARM CCCCc1ccc(S(=O)(=O)[N-]c2c(C)nn(Cc3cccc(F)c3)c2C)cc1 ZINC000017090381 558818990 /nfs/dbraw/zinc/81/89/90/558818990.db2.gz QSWBJIOIMVKMJE-UHFFFAOYSA-N -1 0 415.534 4.831 50 0 HJAARM COc1ccc2cccc(/C=C3/C(=O)[N-]N(c4ccc(Cl)c(Cl)c4)C3=O)c2c1 ZINC000000662761 558829911 /nfs/dbraw/zinc/82/99/11/558829911.db2.gz AHIIWXIAQWBGRG-MFOYZWKCSA-N -1 0 413.260 4.617 50 0 HJAARM C[C@@H]1CCC[C@@H](NC(=O)CCCCCn2c(=O)c3ccccc3[n-]c2=S)[C@@H]1C ZINC000004598974 558834920 /nfs/dbraw/zinc/83/49/20/558834920.db2.gz VTWXUZQHWIVEBV-JFIYKMOQSA-N -1 0 401.576 4.560 50 0 HJAARM CCOC(=O)c1c(-c2cccc(C)c2)csc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000004647124 558864097 /nfs/dbraw/zinc/86/40/97/558864097.db2.gz LEEADSBKBGVHNS-HOTGVXAUSA-N -1 0 413.495 4.506 50 0 HJAARM CCCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccc(Cl)s3)ccc2s1 ZINC000033116473 558877659 /nfs/dbraw/zinc/87/76/59/558877659.db2.gz UIWAUOSYEYCFON-UHFFFAOYSA-N -1 0 415.949 4.551 50 0 HJAARM COc1ccc(-c2nc(Nc3ccc(F)c(F)c3F)sc2CCC(=O)[O-])cc1 ZINC000004672168 558886009 /nfs/dbraw/zinc/88/60/09/558886009.db2.gz LCDWTZSUDUIZIG-UHFFFAOYSA-N -1 0 408.401 4.997 50 0 HJAARM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(F)(F)F)c1 ZINC000071415934 558897737 /nfs/dbraw/zinc/89/77/37/558897737.db2.gz GJLCFAOELMNTBA-UHFFFAOYSA-N -1 0 411.323 4.728 50 0 HJAARM CCc1cccc([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)cs2)c1 ZINC000033173708 558901778 /nfs/dbraw/zinc/90/17/78/558901778.db2.gz TTYVWHJNFITGOU-UHFFFAOYSA-N -1 0 402.419 4.785 50 0 HJAARM CCCCN(C)c1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1C(=O)[O-] ZINC000033253361 558921591 /nfs/dbraw/zinc/92/15/91/558921591.db2.gz USXLYXUPXHXTEU-UHFFFAOYSA-N -1 0 404.532 4.545 50 0 HJAARM CC(C)c1ccc(S(=O)(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)[O-])c2)cc1 ZINC000033253437 558921602 /nfs/dbraw/zinc/92/16/02/558921602.db2.gz OWZGOPCESYMJJB-UHFFFAOYSA-N -1 0 416.543 4.545 50 0 HJAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(-c2nc(C)c(C)s2)sc1C ZINC000033290096 559047081 /nfs/dbraw/zinc/04/70/81/559047081.db2.gz MSZBUAOQIHBPMH-UHFFFAOYSA-N -1 0 408.570 4.915 50 0 HJAARM CC(C)c1ccc(Cc2nnc(NCCc3c[nH]c4ccc(Cl)cc34)[n-]c2=O)cc1 ZINC000004818470 559116203 /nfs/dbraw/zinc/11/62/03/559116203.db2.gz HKJIATGRGMKOQI-UHFFFAOYSA-N -1 0 421.932 4.668 50 0 HJAARM CCCCn1c(=O)c(C(=O)Nc2nc3ccc(F)cc3s2)c([O-])c2ccccc21 ZINC000100658451 559137493 /nfs/dbraw/zinc/13/74/93/559137493.db2.gz TXVFYXIIVSHGBJ-UHFFFAOYSA-N -1 0 411.458 4.508 50 0 HJAARM CC(C)(C)OC(=O)N1CC[C@@H](c2cccc(Oc3ccc(F)cc3)c2)[C@@H]1C(=O)[O-] ZINC000072233853 559170597 /nfs/dbraw/zinc/17/05/97/559170597.db2.gz ZIVKGLPAHUUWRK-RBUKOAKNSA-N -1 0 401.434 4.796 50 0 HJAARM CC(C)CN(CC(C)C)C(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)[O-] ZINC000004952116 559215947 /nfs/dbraw/zinc/21/59/47/559215947.db2.gz WEHGXEFRQQZVBQ-STTLMXHVSA-N -1 0 405.538 4.735 50 0 HJAARM COc1cccc([C@@H](CC(=O)[O-])NC(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC000002389063 560600819 /nfs/dbraw/zinc/60/08/19/560600819.db2.gz SOJXDPVBOJLSIA-HSZRJFAPSA-N -1 0 417.461 4.750 50 0 HJAARM CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000004845393 560736900 /nfs/dbraw/zinc/73/69/00/560736900.db2.gz FUHQLISVIFZMIG-BJMVGYQFSA-N -1 0 402.903 4.688 50 0 HJAARM Cc1ccc(NC(=O)/C=C\c2ccc(F)cc2)cc1NS(=O)(=O)c1ccccc1 ZINC000098007632 560759206 /nfs/dbraw/zinc/75/92/06/560759206.db2.gz TXYBEPMYUGXWBF-UVTDQMKNSA-N -1 0 410.470 4.587 50 0 HJAARM Cn1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccccc3)C2)c(=O)n(C)c1=S ZINC000101494876 560796095 /nfs/dbraw/zinc/79/60/95/560796095.db2.gz LWHQQPYCQBKIKP-KRWDZBQOSA-N -1 0 409.536 4.517 50 0 HJAARM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1CC(=O)Nc1ccccc1 ZINC000101505689 560796725 /nfs/dbraw/zinc/79/67/25/560796725.db2.gz ASLVKTYMOFOYEP-UHFFFAOYSA-N -1 0 424.913 4.844 50 0 HJAARM CCc1cccc(NC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(C)cc5)nc-4c3c2)c1 ZINC000101828115 560802673 /nfs/dbraw/zinc/80/26/73/560802673.db2.gz ABPVZFUNMTXYRV-UHFFFAOYSA-N -1 0 422.488 4.942 50 0 HJAARM Cc1ccc(-n2nc3c4cc(C(=O)Nc5cccc(C)c5)ccc4[n-]cc-3c2=O)cc1 ZINC000101828164 560802681 /nfs/dbraw/zinc/80/26/81/560802681.db2.gz LGKTYVYHNJWRAP-UHFFFAOYSA-N -1 0 408.461 4.688 50 0 HJAARM O=c1nc2n(c3sc4c(c31)CCCC4)Cc1ccccc1/C2=C\c1ccccc1O ZINC000103597165 560843615 /nfs/dbraw/zinc/84/36/15/560843615.db2.gz MTTCWVMHBLUWKK-CPNJWEJPSA-N -1 0 412.514 4.993 50 0 HJAARM O=C([O-])c1ccc(NC(=O)/C=C\c2ccccc2)cc1OC(=O)/C=C/c1ccccc1 ZINC000210103704 560876590 /nfs/dbraw/zinc/87/65/90/560876590.db2.gz WACUVOCWCFTSCS-UKVBVZPVSA-N -1 0 413.429 4.656 50 0 HJAARM O=S(=O)([N-]c1ccc(Sc2nncs2)cc1)c1ccccc1C(F)(F)F ZINC000047417204 560886745 /nfs/dbraw/zinc/88/67/45/560886745.db2.gz AWDBWFGTITVHLO-UHFFFAOYSA-N -1 0 417.459 4.509 50 0 HJAARM CCc1nc2sc([C@H](c3ccc(Cl)cc3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000012341918 568483183 /nfs/dbraw/zinc/48/31/83/568483183.db2.gz QXTBLPDFVOHTFK-IBGZPJMESA-N -1 0 424.957 4.860 50 0 HJAARM CCc1ccc(-c2[nH]nc3nc(-c4ccc(NC(C)=O)cc4)cc(C(=O)[O-])c32)cc1 ZINC000020492389 568614912 /nfs/dbraw/zinc/61/49/12/568614912.db2.gz XLXYHXSXOAFAJX-UHFFFAOYSA-N -1 0 400.438 4.511 50 0 HJAARM O=C([O-])C[C@H](CC(=O)N(CCc1cccs1)Cc1ccco1)c1cccs1 ZINC000096024606 568686020 /nfs/dbraw/zinc/68/60/20/568686020.db2.gz KIPDVZVDLILQFQ-HNNXBMFYSA-N -1 0 403.525 4.623 50 0 HJAARM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc(F)c(F)c2F)S1 ZINC000096117331 568696751 /nfs/dbraw/zinc/69/67/51/568696751.db2.gz FGWCDZCYJMPXTM-HWPZZCPQSA-N -1 0 411.449 4.610 50 0 HJAARM O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc(Cl)c3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000229982507 568716263 /nfs/dbraw/zinc/71/62/63/568716263.db2.gz YYRMEMFAUXXGHP-PWRODBHTSA-N -1 0 422.843 4.530 50 0 HJAARM O=C([O-])c1nsc2c1NC(=O)C[C@H]2c1ccccc1OCc1cccc(Cl)c1 ZINC000096335694 568736588 /nfs/dbraw/zinc/73/65/88/568736588.db2.gz TUMLWKURRXGAHS-AWEZNQCLSA-N -1 0 414.870 4.548 50 0 HJAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000002641815 568793789 /nfs/dbraw/zinc/79/37/89/568793789.db2.gz GCNVQLDKNULWPR-UHFFFAOYSA-N -1 0 417.462 4.746 50 0 HJAARM CC(C)CCOc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000003198408 568860991 /nfs/dbraw/zinc/86/09/91/568860991.db2.gz GIJKMDXCDNLITD-UHFFFAOYSA-N -1 0 405.907 4.509 50 0 HJAARM O=S(=O)([N-]c1ccccc1Oc1cnc2ccccc2n1)c1ccc(Cl)cc1 ZINC000001387374 568922873 /nfs/dbraw/zinc/92/28/73/568922873.db2.gz NXLLLTIQLMXSSD-UHFFFAOYSA-N -1 0 411.870 4.876 50 0 HJAARM O=C(Cc1nc(=O)c2sc(-c3ccc(Cl)cc3Cl)cc2[n-]1)NC1CCCC1 ZINC000084343563 568946888 /nfs/dbraw/zinc/94/68/88/568946888.db2.gz XCABVFXKDNOKHM-UHFFFAOYSA-N -1 0 422.337 4.560 50 0 HJAARM COc1cccc(NC(=O)c2sc(-n3[n-]c(C)c(CCC(C)C)c3=O)nc2C)c1 ZINC000015671529 568961994 /nfs/dbraw/zinc/96/19/94/568961994.db2.gz KZPGNRJQUKASHI-UHFFFAOYSA-N -1 0 414.531 4.501 50 0 HJAARM O=C([O-])Cc1ccc([S@](=O)c2ccc(OCc3ccc4ccccc4n3)cc2)cc1 ZINC000035951529 569012734 /nfs/dbraw/zinc/01/27/34/569012734.db2.gz MSUJTIAXHUARBG-SSEXGKCCSA-N -1 0 417.486 4.608 50 0 HJAARM O=C(Nc1cccc(Cl)c1)Nc1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000006147122 569014659 /nfs/dbraw/zinc/01/46/59/569014659.db2.gz ASLMSVLPUIFLIY-UHFFFAOYSA-N -1 0 407.904 4.846 50 0 HJAARM Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1C ZINC000035539383 569043653 /nfs/dbraw/zinc/04/36/53/569043653.db2.gz PIRUGSTTXFVZSL-UHFFFAOYSA-N -1 0 409.920 4.747 50 0 HJAARM C[C@@H]1CC[C@H]2C(=O)N(c3cccc(-c4cc(C(=O)[O-])c5ccccc5n4)c3)C(=O)[C@H]2C1 ZINC000239128728 569053974 /nfs/dbraw/zinc/05/39/74/569053974.db2.gz KRHLFRKHJGTREM-ZMYBRWDISA-N -1 0 414.461 4.526 50 0 HJAARM COc1ccc(-c2cc(=O)oc3cc(O[C@H](C(=O)[O-])c4ccccc4)ccc32)cc1 ZINC000001184841 569060325 /nfs/dbraw/zinc/06/03/25/569060325.db2.gz IENVCDYNUUMBRI-QHCPKHFHSA-N -1 0 402.402 4.673 50 0 biogenic HJAARM C[C@@H]1C[C@H](C)CN([C@@H](c2cccs2)c2sc3nc(-c4ccco4)nn3c2[O-])C1 ZINC000016689806 569070509 /nfs/dbraw/zinc/07/05/09/569070509.db2.gz VQMBSNMKVCWORP-ZENOOKHLSA-N -1 0 414.556 4.885 50 0 HJAARM COc1ccc(-c2coc3cc4oc(=O)c(CCC(=O)[O-])c(C)c4cc32)cc1OC ZINC000006624124 569075502 /nfs/dbraw/zinc/07/55/02/569075502.db2.gz NTXRVRIOJNDZOD-UHFFFAOYSA-N -1 0 408.406 4.549 50 0 biogenic HJAARM CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccccc1 ZINC000064795275 569096129 /nfs/dbraw/zinc/09/61/29/569096129.db2.gz HVOOMZSGFNZDPP-HNNXBMFYSA-N -1 0 423.490 4.995 50 0 HJAARM CCOc1cccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(OC)cc2)c1 ZINC000064796933 569096735 /nfs/dbraw/zinc/09/67/35/569096735.db2.gz BPMQDUVIAXZLLC-QGZVFWFLSA-N -1 0 423.490 4.995 50 0 HJAARM CCCCN(C)c1ccc(C(=O)[O-])cc1NC(=O)c1ccc(Br)cc1 ZINC000064820697 569102679 /nfs/dbraw/zinc/10/26/79/569102679.db2.gz ANQATUXFXRFKOE-UHFFFAOYSA-N -1 0 405.292 4.636 50 0 HJAARM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCC4)o3)s2)c(C)c1 ZINC000064920529 569121047 /nfs/dbraw/zinc/12/10/47/569121047.db2.gz YAMMBGRDLKXBGC-UHFFFAOYSA-N -1 0 403.529 4.792 50 0 HJAARM CCCCn1nc([N-]S(=O)(=O)c2ccc(C)cc2)c2cc3ccc(C)cc3nc21 ZINC000006800799 569128827 /nfs/dbraw/zinc/12/88/27/569128827.db2.gz KJNBASLQVYKBIU-UHFFFAOYSA-N -1 0 408.527 4.802 50 0 HJAARM Cc1ccc(Cl)cc1NC(=O)c1c([O-])c2c3c(sc2[nH]c1=O)C[C@H](C)CC3 ZINC000065150441 569184881 /nfs/dbraw/zinc/18/48/81/569184881.db2.gz VTHLHWJZRDBBEF-SECBINFHSA-N -1 0 402.903 4.634 50 0 HJAARM O=C(Nc1cccc(C(F)(F)F)c1)c1c(=O)[nH]c2sc3c(c2c1[O-])CCCCC3 ZINC000065150545 569184998 /nfs/dbraw/zinc/18/49/98/569184998.db2.gz DPSGDKOPCOEDKX-UHFFFAOYSA-N -1 0 422.428 4.835 50 0 HJAARM CCc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3cccc(C(C)C)c3)c(C)n2CC)o1 ZINC000065186611 569192235 /nfs/dbraw/zinc/19/22/35/569192235.db2.gz UCSIPTNXJJDJCR-UHFFFAOYSA-N -1 0 416.547 4.661 50 0 HJAARM Cc1cc(Nc2ccccc2C(=O)[O-])nc(Nc2ccc(N3CCCCC3)cc2)n1 ZINC000170621799 569248536 /nfs/dbraw/zinc/24/85/36/569248536.db2.gz WOCBKNXKPPFANO-UHFFFAOYSA-N -1 0 403.486 4.961 50 0 HJAARM C/C(=C/C(=O)Nc1ccc(SCC(=O)Nc2ccc(C(C)C)cc2)cc1)C(=O)[O-] ZINC000013579291 569256456 /nfs/dbraw/zinc/25/64/56/569256456.db2.gz DBLKRVZCBSSRRK-QINSGFPZSA-N -1 0 412.511 4.510 50 0 HJAARM O=C([O-])c1nsc2c1NC(=O)C[C@@H]2c1ccc(OCc2cccc(Cl)c2)cc1 ZINC000066091603 569314546 /nfs/dbraw/zinc/31/45/46/569314546.db2.gz MJCLSHCILWTCSM-OAHLLOKOSA-N -1 0 414.870 4.548 50 0 HJAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)s1 ZINC000008961487 571190077 /nfs/dbraw/zinc/19/00/77/571190077.db2.gz FURUKYHPZQRTGG-UHFFFAOYSA-N -1 0 414.508 4.548 50 0 HJAARM COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000009002250 571209839 /nfs/dbraw/zinc/20/98/39/571209839.db2.gz ZAZCXFVNVUGBFZ-UHFFFAOYSA-N -1 0 401.509 4.619 50 0 HJAARM CCCC[C@H](Sc1nnc(NC(=O)Nc2ccc(Cl)cc2)s1)C(=O)[O-] ZINC000009324335 571248206 /nfs/dbraw/zinc/24/82/06/571248206.db2.gz SNMYWZVZEOFEPS-NSHDSACASA-N -1 0 400.913 4.571 50 0 HJAARM O=S(=O)([N-]c1ccccc1-c1nc2ccccc2s1)c1ccc2c(c1)OCCO2 ZINC000009548739 571267843 /nfs/dbraw/zinc/26/78/43/571267843.db2.gz GBIAARLOGZJWKV-UHFFFAOYSA-N -1 0 424.503 4.535 50 0 HJAARM Cc1nc2sc([C@H](c3ccc(Cl)c(Cl)c3)N3CCC[C@@H](C)C3)c([O-])n2n1 ZINC000022626104 557079022 /nfs/dbraw/zinc/07/90/22/557079022.db2.gz OPVYREZVZZSPSR-BMIGLBTASA-N -1 0 411.358 4.933 50 0 HJAARM Cc1nc2sc([C@@H](c3ccc(Cl)c(Cl)c3)N3CCC(C)CC3)c([O-])n2n1 ZINC000022626185 557080599 /nfs/dbraw/zinc/08/05/99/557080599.db2.gz QADZDUKJEDHMNL-OAHLLOKOSA-N -1 0 411.358 4.933 50 0 HJAARM Cc1sc2ncn(Cc3ccc(C(=O)[O-])cc3)c(=O)c2c1-c1ccc(C)c(C)c1 ZINC000000959704 557126958 /nfs/dbraw/zinc/12/69/58/557126958.db2.gz OJGJEIMFOQBAPP-UHFFFAOYSA-N -1 0 404.491 4.797 50 0 HJAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000000985237 557131783 /nfs/dbraw/zinc/13/17/83/557131783.db2.gz XRAKHZTWHXHJSI-UHFFFAOYSA-N -1 0 416.886 4.951 50 0 HJAARM Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)sc2C(N)=O)c(C)cc1Cl ZINC000001027889 557145569 /nfs/dbraw/zinc/14/55/69/557145569.db2.gz AVLUOOBKRNWXAE-UHFFFAOYSA-N -1 0 420.943 4.585 50 0 HJAARM O=C([O-])CCc1ccc(-c2cccs2)n1NC(=O)c1ccc(Cl)cc1Cl ZINC000001066568 557166622 /nfs/dbraw/zinc/16/66/22/557166622.db2.gz BIVXTFYMWIZPSV-UHFFFAOYSA-N -1 0 409.294 4.925 50 0 HJAARM CCN1c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c3cccc(c23)C1=O ZINC000001463364 557268811 /nfs/dbraw/zinc/26/88/11/557268811.db2.gz QOBOHEINSSDKAC-UHFFFAOYSA-N -1 0 420.412 4.640 50 0 HJAARM CCCCOC(=O)c1ccc(NC(=O)c2cc(Cl)c(Cl)cc2C(=O)[O-])cc1 ZINC000002062754 557304757 /nfs/dbraw/zinc/30/47/57/557304757.db2.gz TTZTVBWZYPCYEB-UHFFFAOYSA-N -1 0 410.253 4.901 50 0 HJAARM O=C([O-])C[C@H](Cc1cccs1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002385904 557342875 /nfs/dbraw/zinc/34/28/75/557342875.db2.gz BESSJJJDKGERSD-HNNXBMFYSA-N -1 0 407.491 4.673 50 0 HJAARM O=C([O-])C[C@@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002504855 557353372 /nfs/dbraw/zinc/35/33/72/557353372.db2.gz DQNUGHJJKNFCND-GOSISDBHSA-N -1 0 401.462 4.611 50 0 HJAARM O=C([O-])C[C@H](Cc1ccsc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002575671 557357509 /nfs/dbraw/zinc/35/75/09/557357509.db2.gz LLLVDBJEAPYRRR-INIZCTEOSA-N -1 0 407.491 4.673 50 0 HJAARM O=C([O-])C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1F ZINC000002585883 557358605 /nfs/dbraw/zinc/35/86/05/557358605.db2.gz LYKQNUSJPNQQLZ-QFIPXVFZSA-N -1 0 405.425 4.880 50 0 HJAARM CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000004614484 557572586 /nfs/dbraw/zinc/57/25/86/557572586.db2.gz WCKFQTUDRVHYPL-HZPDHXFCSA-N -1 0 413.495 4.506 50 0 HJAARM Cc1ccc(C(=O)[O-])cc1Nc1cnn(C23CC4CC(CC(C4)C2)C3)c(=O)c1Cl ZINC000004909599 557612123 /nfs/dbraw/zinc/61/21/23/557612123.db2.gz HZHIWGJLYBHKLR-UHFFFAOYSA-N -1 0 413.905 4.572 50 0 HJAARM CCC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000005050666 557630370 /nfs/dbraw/zinc/63/03/70/557630370.db2.gz VNAUKIJIWHOCLZ-AWEZNQCLSA-N -1 0 408.951 4.676 50 0 HJAARM C[C@H](c1ccccc1)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000005723177 557670810 /nfs/dbraw/zinc/67/08/10/557670810.db2.gz ZQWJZRLWGALBIQ-WAIKUNEKSA-N -1 0 401.462 4.782 50 0 HJAARM COc1ccc(-c2nc(-c3ccc(Br)cc3)c(CC(=O)[O-])s2)cc1 ZINC000002955988 557772980 /nfs/dbraw/zinc/77/29/80/557772980.db2.gz PBPUOQZGEOIADY-UHFFFAOYSA-N -1 0 404.285 4.875 50 0 HJAARM [O-]c1c([C@@H](c2ccc(Cl)cc2)N2CCCC2)sc2nc(-c3ccco3)nn12 ZINC000022851928 557839566 /nfs/dbraw/zinc/83/95/66/557839566.db2.gz OEPXBZLJLKNZOU-OAHLLOKOSA-N -1 0 400.891 4.595 50 0 HJAARM CC1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2F)CC1 ZINC000022852107 557839834 /nfs/dbraw/zinc/83/98/34/557839834.db2.gz CVCOZPUTGUPQMY-KRWDZBQOSA-N -1 0 412.490 4.717 50 0 HJAARM C[C@H]1CCCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2F)C1 ZINC000022852105 557839888 /nfs/dbraw/zinc/83/98/88/557839888.db2.gz XNDPENLGZFYLEA-GUYCJALGSA-N -1 0 412.490 4.717 50 0 HJAARM COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000012414313 558401858 /nfs/dbraw/zinc/40/18/58/558401858.db2.gz UYIBAUUOXGWYRM-UHFFFAOYSA-N -1 0 421.927 4.964 50 0 HJAARM O=C([O-])CCc1cn(-c2ccc(Br)cc2)nc1-c1ccc(Cl)cc1 ZINC000012957315 558488377 /nfs/dbraw/zinc/48/83/77/558488377.db2.gz CRCKLQOTWRGUSH-UHFFFAOYSA-N -1 0 405.679 4.972 50 0 HJAARM CC(C)(C)c1cc(CCC(=O)NCc2ccc(C(=O)[O-])cc2)cc(C(C)(C)C)c1O ZINC000012992857 558497031 /nfs/dbraw/zinc/49/70/31/558497031.db2.gz WMJXJDURNIUAMM-UHFFFAOYSA-N -1 0 411.542 4.934 50 0 HJAARM CCc1c(C)sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1C(=O)Nc1ccccc1 ZINC000017090004 558818561 /nfs/dbraw/zinc/81/85/61/558818561.db2.gz UBECMZUKCDZGFT-DLBZAZTESA-N -1 0 414.527 4.701 50 0 HJAARM C[C@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C(=O)NC1CCCCC1)CCCCC2 ZINC000017092400 558820845 /nfs/dbraw/zinc/82/08/45/558820845.db2.gz XMZPCPLLZQAJEA-AWEZNQCLSA-N -1 0 420.575 4.519 50 0 HJAARM Cc1ccc(N2[N-]C(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl ZINC000000647725 558828267 /nfs/dbraw/zinc/82/82/67/558828267.db2.gz FIMIUNBFNALXKF-FYJGNVAPSA-N -1 0 418.880 4.689 50 0 HJAARM Cc1ccc(N2[N-]C(=O)/C(=C\c3ccc(-c4ccc(C)c(Cl)c4)o3)C2=O)cc1C ZINC000000859991 558835787 /nfs/dbraw/zinc/83/57/87/558835787.db2.gz GCEFTTIUEIKKPW-XDHOZWIPSA-N -1 0 406.869 4.987 50 0 HJAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(-c3cc4ccccc4[nH]3)cc2)c1 ZINC000033025727 558846552 /nfs/dbraw/zinc/84/65/52/558846552.db2.gz XYJBJFSXQFJPTH-UHFFFAOYSA-N -1 0 408.479 4.653 50 0 HJAARM O=C([O-])C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(OC2CCCC2)cc1 ZINC000004653999 558869340 /nfs/dbraw/zinc/86/93/40/558869340.db2.gz CKGFSJKOUFSHNS-TVHGACNRSA-N -1 0 411.542 4.856 50 0 HJAARM O=S(=O)([N-]c1ccc(Cl)cc1)c1cc(-c2cc(C(F)(F)F)on2)cs1 ZINC000033173688 558901750 /nfs/dbraw/zinc/90/17/50/558901750.db2.gz OSJOFBIHEXKTIS-UHFFFAOYSA-N -1 0 408.810 4.876 50 0 HJAARM CCCCN(C)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000033253848 558922022 /nfs/dbraw/zinc/92/20/22/558922022.db2.gz BVXMFIKSXZFWPE-UHFFFAOYSA-N -1 0 404.532 4.545 50 0 HJAARM CC(C)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC(C)CC2)cc1 ZINC000033253888 558922035 /nfs/dbraw/zinc/92/20/35/558922035.db2.gz FLXOWCYZQOFWOM-UHFFFAOYSA-N -1 0 416.543 4.545 50 0 HJAARM COc1ccccc1N1C(=N)S/C(=C/c2ccc(-c3ccccc3C(=O)[O-])o2)C1=O ZINC000033291486 559045807 /nfs/dbraw/zinc/04/58/07/559045807.db2.gz PNFZUCFQPLNPLV-PTOVGEMASA-N -1 0 420.446 4.709 50 0 HJAARM O=C([O-])Cc1cccc2c1CCN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 ZINC000725240815 559067692 /nfs/dbraw/zinc/06/76/92/559067692.db2.gz GKQBUQKQSGFQKY-UHFFFAOYSA-N -1 0 413.473 4.621 50 0 HJAARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@H]1Nc2ccccc2C(=O)N1C1CCCCC1 ZINC000102454284 559150463 /nfs/dbraw/zinc/15/04/63/559150463.db2.gz QAODEMDRTKMEBL-JOCHJYFZSA-N -1 0 402.498 4.786 50 0 HJAARM O=C([O-])CS[C@H](C(=O)Nc1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000002557508 559189556 /nfs/dbraw/zinc/18/95/56/559189556.db2.gz FJYNFHYERKKKGS-HNNXBMFYSA-N -1 0 414.708 4.600 50 0 HJAARM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Nc2ccc(C)cc2)cc1 ZINC000002616956 560585791 /nfs/dbraw/zinc/58/57/91/560585791.db2.gz LMEOLBOQRGNNSC-UHFFFAOYSA-N -1 0 410.495 4.716 50 0 HJAARM O=C([O-])CCN(CCc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000309572696 560770567 /nfs/dbraw/zinc/77/05/67/560770567.db2.gz BHIBCWHFUCOEOP-UHFFFAOYSA-N -1 0 415.489 4.955 50 0 HJAARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1CCC(=O)Nc1cccc(C)c1 ZINC000101501497 560796605 /nfs/dbraw/zinc/79/66/05/560796605.db2.gz HABHJSAORXOXAQ-UHFFFAOYSA-N -1 0 418.522 4.890 50 0 HJAARM COc1cc(OC)cc([C@H]2Nc3nonc3N=C3C[C@@H](c4cccs4)CC(=O)C32)c1 ZINC000102743903 560823790 /nfs/dbraw/zinc/82/37/90/560823790.db2.gz HDTJTDAIVPSRKZ-NSPYISDASA-N -1 0 424.482 4.777 50 0 HJAARM COc1ccc([C@@H]2CC(=O)C3C(=Nc4nonc4N[C@@H]3c3ccccc3F)C2)cc1 ZINC000102743246 560823796 /nfs/dbraw/zinc/82/37/96/560823796.db2.gz XFMNQLSYTOGMIV-RNODOKPDSA-N -1 0 406.417 4.846 50 0 HJAARM COC(=O)c1ccc([C@@H]2Nc3nonc3N=C3C[C@H](c4cccs4)CC(=O)C32)cc1 ZINC000102739492 560824735 /nfs/dbraw/zinc/82/47/35/560824735.db2.gz NACDCRJZUCNYNT-UGSOOPFHSA-N -1 0 422.466 4.547 50 0 HJAARM CCn1c2ccccc2nc1CCc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000102813844 560829385 /nfs/dbraw/zinc/82/93/85/560829385.db2.gz ROFXPEXZUJLMCB-UHFFFAOYSA-N -1 0 411.552 4.704 50 0 HJAARM Cc1n[nH]c(SC(=Cc2cccc(OCc3ccccc3Cl)c2)C(=O)[O-])n1 ZINC000005721350 560853858 /nfs/dbraw/zinc/85/38/58/560853858.db2.gz FXIGNZYVHLTIKG-LICLKQGHSA-N -1 0 401.875 4.563 50 0 HJAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccc(Cl)cc3Cl)C2)cc1 ZINC000009363776 568415631 /nfs/dbraw/zinc/41/56/31/568415631.db2.gz LLRALJXJPWATKY-GOSISDBHSA-N -1 0 421.280 4.545 50 0 HJAARM CCc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)cc1 ZINC000020977565 568653975 /nfs/dbraw/zinc/65/39/75/568653975.db2.gz MYKZKSUGXFSLPS-UHFFFAOYSA-N -1 0 402.419 4.785 50 0 HJAARM COC(=O)C[C@@H](c1ccsc1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096114000 568693709 /nfs/dbraw/zinc/69/37/09/568693709.db2.gz PWSHPGSHAZDNME-HNNXBMFYSA-N -1 0 422.458 4.628 50 0 biogenic HJAARM Cc1ccc(OCC(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(C(=O)[O-])c2)cc1C ZINC000096184192 568703362 /nfs/dbraw/zinc/70/33/62/568703362.db2.gz SORWFRHWPWLXNV-UHFFFAOYSA-N -1 0 421.497 4.502 50 0 HJAARM O=S(=O)([N-]c1ccn(Cc2c(F)cccc2Cl)n1)c1ccc2ccccc2c1 ZINC000002779225 568808198 /nfs/dbraw/zinc/80/81/98/568808198.db2.gz HFCXUKIVEXFCRD-UHFFFAOYSA-N -1 0 415.877 4.678 50 0 HJAARM O=C(CCCCCn1c(=O)c2sccc2[n-]c1=S)NCc1ccccc1Cl ZINC000002925556 568817386 /nfs/dbraw/zinc/81/73/86/568817386.db2.gz APURDGWQDRYINH-UHFFFAOYSA-N -1 0 421.975 4.651 50 0 HJAARM CCCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000005952043 568832062 /nfs/dbraw/zinc/83/20/62/568832062.db2.gz IQTMGHYLVSRKQO-JKSUJKDBSA-N -1 0 415.511 4.811 50 0 HJAARM CCOC(=O)c1oc2cc([O-])cc(C)c2c(=O)c1-c1csc(-c2ccccc2)n1 ZINC000005957871 568832335 /nfs/dbraw/zinc/83/23/35/568832335.db2.gz NAIIEVGZXKFAMH-UHFFFAOYSA-N -1 0 407.447 4.774 50 0 HJAARM CCOc1cc2[n-]c(=S)n(CCc3c[nH]c4ccccc34)c(=O)c2cc1OCC ZINC000002976526 568832460 /nfs/dbraw/zinc/83/24/60/568832460.db2.gz DOKHOLVSHZMSDX-UHFFFAOYSA-N -1 0 409.511 4.580 50 0 HJAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1c(Cl)cccc1Cl)O[C@@H](C)C2 ZINC000012605513 568871057 /nfs/dbraw/zinc/87/10/57/568871057.db2.gz MNVONVDIASTCLT-JTQLQIEISA-N -1 0 402.299 4.516 50 0 HJAARM Oc1ccccc1C1=N[C@H](c2ccc(Br)cc2)N[C@H](c2ccccn2)C1 ZINC000058015115 568876204 /nfs/dbraw/zinc/87/62/04/568876204.db2.gz RVTUSWBLGPRBKK-FPOVZHCZSA-N -1 0 408.299 4.772 50 0 HJAARM Cc1ccc2[nH]c(CCc3ccc([N-]S(=O)(=O)c4ccccc4F)cc3)nc2c1 ZINC000015870710 569017427 /nfs/dbraw/zinc/01/74/27/569017427.db2.gz FZUTZFIRTRMGJJ-UHFFFAOYSA-N -1 0 409.486 4.596 50 0 HJAARM Cc1ccc(-c2csc(NC(=O)CCCC(=O)[O-])c2C(=O)OC(C)C)cc1C ZINC000006215861 569033240 /nfs/dbraw/zinc/03/32/40/569033240.db2.gz JTVIDLRMYXYBBT-UHFFFAOYSA-N -1 0 403.500 4.791 50 0 HJAARM CCN(Cc1ccccc1)c1ccc(NC(=O)c2ccc(OC)cc2)cc1C(=O)[O-] ZINC000035510949 569043041 /nfs/dbraw/zinc/04/30/41/569043041.db2.gz VUJWXCMTTCBJQF-UHFFFAOYSA-N -1 0 404.466 4.672 50 0 HJAARM O=C([O-])c1cc(NC(=O)c2ccc(F)cc2)ccc1N1CC[C@H](c2ccccc2)C1 ZINC000035510995 569043058 /nfs/dbraw/zinc/04/30/58/569043058.db2.gz VDLIJHRJMOCONA-SFHVURJKSA-N -1 0 404.441 4.770 50 0 HJAARM Cc1cc([N-]S(=O)(=O)c2ccc(Nc3nc(-c4cccs4)cs3)cc2)no1 ZINC000001895747 569057171 /nfs/dbraw/zinc/05/71/71/569057171.db2.gz JEICDTPVPQPXDS-UHFFFAOYSA-N -1 0 418.525 4.712 50 0 HJAARM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1c(C)cccc1C ZINC000064670138 569079023 /nfs/dbraw/zinc/07/90/23/569079023.db2.gz CPXAXRMOAJHCBY-UHFFFAOYSA-N -1 0 402.541 4.935 50 0 HJAARM CC(C)Sc1nc2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2s1 ZINC000064747844 569089058 /nfs/dbraw/zinc/08/90/58/569089058.db2.gz WSWNHVVVZQZUHB-UHFFFAOYSA-N -1 0 400.497 4.876 50 0 HJAARM CC1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccc(Br)cc2)CC1 ZINC000064820701 569102646 /nfs/dbraw/zinc/10/26/46/569102646.db2.gz BJSNOTHVGYRTCX-UHFFFAOYSA-N -1 0 417.303 4.636 50 0 HJAARM COc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000064837414 569104376 /nfs/dbraw/zinc/10/43/76/569104376.db2.gz LUCPPSNULLSZPW-UHFFFAOYSA-N -1 0 410.854 4.560 50 0 HJAARM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(-c2nnc(C3CCC3)o2)s1 ZINC000064920418 569121134 /nfs/dbraw/zinc/12/11/34/569121134.db2.gz LKPIBRYYRORRGO-UHFFFAOYSA-N -1 0 409.920 4.828 50 0 HJAARM CCc1ccc([N-]S(=O)(=O)c2c(-c3ccccc3)csc2C(=O)OC)cc1 ZINC000006913956 569179780 /nfs/dbraw/zinc/17/97/80/569179780.db2.gz HQSLYRSPNQHXET-UHFFFAOYSA-N -1 0 401.509 4.565 50 0 aggregator HJAARM Cc1ccc(Cl)cc1NC(=O)c1c([O-])c2c3c(sc2[nH]c1=O)C[C@@H](C)CC3 ZINC000065150443 569184885 /nfs/dbraw/zinc/18/48/85/569184885.db2.gz VTHLHWJZRDBBEF-VIFPVBQESA-N -1 0 402.903 4.634 50 0 HJAARM Cc1sc2[n-]c(-c3nnc(-c4ccccc4)o3)nc(=O)c2c1-c1ccc(F)cc1 ZINC000170610681 569245481 /nfs/dbraw/zinc/24/54/81/569245481.db2.gz LVBOMLHQUYUEJS-UHFFFAOYSA-N -1 0 404.426 4.816 50 0 HJAARM O=C(Nc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000089845675 569267052 /nfs/dbraw/zinc/26/70/52/569267052.db2.gz OVTNEFVNDDFYSB-UHFFFAOYSA-N -1 0 404.850 4.532 50 0 HJAARM CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(CCC(=O)[O-])cc3)ccc21 ZINC000008778942 571118512 /nfs/dbraw/zinc/11/85/12/571118512.db2.gz SVGGZLVPQWOEBK-UHFFFAOYSA-N -1 0 422.506 4.632 50 0 HJAARM CCCn1nc([N-]S(=O)(=O)c2ccc(Cl)cc2)c2cc3ccc(C)cc3nc21 ZINC000009012678 571210877 /nfs/dbraw/zinc/21/08/77/571210877.db2.gz QGDNZFYOYMRCOB-UHFFFAOYSA-N -1 0 414.918 4.757 50 0 HJAARM COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)[N-]c1cc(C)nc2ccccc12 ZINC000009228210 571239367 /nfs/dbraw/zinc/23/93/67/571239367.db2.gz SJUJZRQFBNEVBC-UHFFFAOYSA-N -1 0 423.494 4.624 50 0 HJAARM Cc1nnsc1C(=O)[N-]c1c2ccccc2oc1C(=O)Nc1cccc(Cl)c1 ZINC000009250902 571242123 /nfs/dbraw/zinc/24/21/23/571242123.db2.gz VCDTWARGENDADS-UHFFFAOYSA-N -1 0 412.858 4.751 50 0 HJAARM COc1cccc(NC(=O)c2ccc3c(c2)nc2c(c3SCC(=O)[O-])CCCC2)c1 ZINC000009611660 571273787 /nfs/dbraw/zinc/27/37/87/571273787.db2.gz DSYLJMMSLXIJPT-UHFFFAOYSA-N -1 0 422.506 4.551 50 0 HJAARM Cc1ccc(C[C@@H](C(=O)[O-])[C@@H](C)C(=O)Nc2ccc(C)c(Br)c2)cc1 ZINC000071405933 571293789 /nfs/dbraw/zinc/29/37/89/571293789.db2.gz QGIOWNHMLJCGGK-RHSMWYFYSA-N -1 0 404.304 4.584 50 0 HJAARM CCOc1ccc(-c2cc(C(=O)[N-]c3nc(-c4ccc(C)s4)ns3)no2)cc1 ZINC000032593570 520805198 /nfs/dbraw/zinc/80/51/98/520805198.db2.gz GNVAUILMGCOCNI-UHFFFAOYSA-N -1 0 412.496 4.881 50 0 HJAARM CCc1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1 ZINC000000682809 521913993 /nfs/dbraw/zinc/91/39/93/521913993.db2.gz SUBUGASKTFOYNN-UHFFFAOYSA-N -1 0 404.495 4.737 50 0 HJAARM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCCCCC2)cs1 ZINC000045961725 524900252 /nfs/dbraw/zinc/90/02/52/524900252.db2.gz FYWWEXPKVQSFBK-UHFFFAOYSA-N -1 0 412.964 4.527 50 0 HJAARM Cc1noc(-c2csc(S(=O)(=O)[N-]c3ccc(Br)cc3)c2)c1C ZINC000044922223 526458064 /nfs/dbraw/zinc/45/80/64/526458064.db2.gz WGZIPORLMJPJIZ-UHFFFAOYSA-N -1 0 413.318 4.583 50 0 HJAARM Cc1nc(-c2c(Cl)cccc2Cl)sc1C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000032070462 526559874 /nfs/dbraw/zinc/55/98/74/526559874.db2.gz YHLREWITZYGTLB-LBPRGKRZSA-N -1 0 401.315 4.654 50 0 HJAARM COc1ccc(-c2csc3[n-]c(=S)n(Cc4ccccc4)c(=O)c23)cc1OC ZINC000000723986 557072105 /nfs/dbraw/zinc/07/21/05/557072105.db2.gz PCVITOOXIJTAIS-UHFFFAOYSA-N -1 0 410.520 4.853 50 0 HJAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccc4ccccc4c3)cc2)no1 ZINC000001027697 557145631 /nfs/dbraw/zinc/14/56/31/557145631.db2.gz MTXMLLXGBAWACQ-UHFFFAOYSA-N -1 0 422.466 4.581 50 0 HJAARM CCCc1cc(=O)n2[n-]c(C(F)(F)F)c(-c3ccc(Br)cc3)c2n1 ZINC000001029663 557146255 /nfs/dbraw/zinc/14/62/55/557146255.db2.gz XTIPSGAKYAZFPY-UHFFFAOYSA-N -1 0 400.198 4.836 50 0 HJAARM COc1ccc(-c2ccc(CCC(=O)[O-])n2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000001066290 557166553 /nfs/dbraw/zinc/16/65/53/557166553.db2.gz FMJDTZGMUPWSGQ-UHFFFAOYSA-N -1 0 420.509 4.862 50 0 HJAARM O=C([O-])c1ccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1Cl ZINC000001160361 557217785 /nfs/dbraw/zinc/21/77/85/557217785.db2.gz RABYTIRWCPESAB-UHFFFAOYSA-N -1 0 424.909 4.683 50 0 HJAARM CCCCSc1nnc2c(n1)O[C@H](c1ccc(C(=O)[O-])cc1)Nc1ccccc1-2 ZINC000002062117 557304602 /nfs/dbraw/zinc/30/46/02/557304602.db2.gz XEAOPUMIEDBZQA-GOSISDBHSA-N -1 0 408.483 4.632 50 0 HJAARM COc1cc2[n-]c(=S)n(CCSc3ccc(Cl)cc3)c(=O)c2cc1OC ZINC000002348032 557339057 /nfs/dbraw/zinc/33/90/57/557339057.db2.gz PZKYCMABCQMQAM-UHFFFAOYSA-N -1 0 408.932 4.522 50 0 HJAARM CCCCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3cccs3)cc21 ZINC000003255094 557465044 /nfs/dbraw/zinc/46/50/44/557465044.db2.gz NZSADHQCMAUMHG-UHFFFAOYSA-N -1 0 407.513 4.951 50 0 HJAARM COC(=O)c1c(-c2cc(C)ccc2C)csc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000003864125 557501587 /nfs/dbraw/zinc/50/15/87/557501587.db2.gz WJGWGNCAMCGDBK-CABCVRRESA-N -1 0 415.511 4.648 50 0 HJAARM CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])c1 ZINC000004825020 557603485 /nfs/dbraw/zinc/60/34/85/557603485.db2.gz UYUJKVLXZJZWHR-UHFFFAOYSA-N -1 0 416.477 4.832 50 0 HJAARM Cc1c(Cl)cccc1N(Cc1ccc(C(=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000004978129 557619899 /nfs/dbraw/zinc/61/98/99/557619899.db2.gz VDUXXDQAJBFISC-UHFFFAOYSA-N -1 0 415.898 4.742 50 0 HJAARM Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000005023581 557627065 /nfs/dbraw/zinc/62/70/65/557627065.db2.gz FUYFHTNWTAOCBS-UHFFFAOYSA-N -1 0 415.898 4.742 50 0 HJAARM O=C1N=C(SC(c2ccccc2)c2ccccc2)N=C([O-])C1Cc1ccccc1 ZINC000005072926 557634059 /nfs/dbraw/zinc/63/40/59/557634059.db2.gz XMFHANSHGKINAO-UHFFFAOYSA-N -1 0 400.503 4.948 50 0 HJAARM COc1ccc([C@@H]2C(CC(=O)[O-])=C(Nc3ccccc3)C(=O)N2c2ccccc2)cc1 ZINC000005129432 557637616 /nfs/dbraw/zinc/63/76/16/557637616.db2.gz KNSNMUSTAGXHJI-XMMPIXPASA-N -1 0 414.461 4.624 50 0 HJAARM C[C@@](Cc1ccc(F)cc1)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000008700683 557800614 /nfs/dbraw/zinc/80/06/14/557800614.db2.gz HGCDIHMFXNGCRG-VWLOTQADSA-N -1 0 419.452 4.750 50 0 HJAARM C[C@@H]1CCCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2F)C1 ZINC000022852103 557839543 /nfs/dbraw/zinc/83/95/43/557839543.db2.gz XNDPENLGZFYLEA-DYVFJYSZSA-N -1 0 412.490 4.717 50 0 HJAARM Cc1ccc(NC(=O)CSc2ccc(Cl)cc2)c(C(=O)[O-])c1Br ZINC000012447413 558414785 /nfs/dbraw/zinc/41/47/85/558414785.db2.gz UYHJAEHPOPFWOS-UHFFFAOYSA-N -1 0 414.708 4.840 50 0 HJAARM O=C([N-]c1nnc(SCc2ccc(F)cc2)s1)c1cc(-c2cccs2)on1 ZINC000021524207 558440320 /nfs/dbraw/zinc/44/03/20/558440320.db2.gz WVPUSGQAPISFHI-UHFFFAOYSA-N -1 0 418.500 4.938 50 0 HJAARM O=S(=O)([N-]c1ccc(-c2nc3ccccc3n2C(F)F)cc1)c1cccs1 ZINC000022197348 558466126 /nfs/dbraw/zinc/46/61/26/558466126.db2.gz JUZWEJUGOYKZKH-UHFFFAOYSA-N -1 0 405.451 4.961 50 0 HJAARM O=C([O-])CCc1cn(-c2ccc(Cl)cc2)nc1-c1ccc(Br)cc1 ZINC000012957270 558488406 /nfs/dbraw/zinc/48/84/06/558488406.db2.gz ZCBWGEKVGZXGBI-UHFFFAOYSA-N -1 0 405.679 4.972 50 0 HJAARM O=S(=O)([N-]c1ccc(Cl)c2cccnc12)c1cccc(OC(F)(F)F)c1 ZINC000024426203 558597186 /nfs/dbraw/zinc/59/71/86/558597186.db2.gz WNGIAGAWNPOYCQ-UHFFFAOYSA-N -1 0 402.781 4.588 50 0 HJAARM CC(C)CCN1Cc2cc(C(=O)c3cc(Cl)cc(Cl)c3[O-])cnc2NC1=O ZINC000014128751 558623538 /nfs/dbraw/zinc/62/35/38/558623538.db2.gz LURFGULUXQVBCS-UHFFFAOYSA-N -1 0 408.285 4.719 50 0 HJAARM CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C2c1ccccc1C(=O)[O-] ZINC000025782956 558649927 /nfs/dbraw/zinc/64/99/27/558649927.db2.gz YKSJJXGQHSESKB-UHFFFAOYSA-N -1 0 418.401 4.521 50 0 HJAARM O=C(Nc1ccccc1)c1cc2ccccc2cc1[N-]S(=O)(=O)c1cccs1 ZINC000014901774 558678620 /nfs/dbraw/zinc/67/86/20/558678620.db2.gz XJONHHBHQRNTGE-UHFFFAOYSA-N -1 0 408.504 4.954 50 0 HJAARM CCOc1ccc([C@H](CC(=O)[O-])NC(=O)C2c3ccccc3Oc3ccccc32)cc1 ZINC000004581216 558767170 /nfs/dbraw/zinc/76/71/70/558767170.db2.gz ZAHXGKQFRHRICV-FQEVSTJZSA-N -1 0 417.461 4.655 50 0 HJAARM Cc1ccc(N2C(=O)[N-]C(=O)[C@@](CCc3ccccn3)(Cc3cccs3)C2=O)cc1 ZINC000001127422 558775251 /nfs/dbraw/zinc/77/52/51/558775251.db2.gz XSPJDXNPANEXEV-HSZRJFAPSA-N -1 0 419.506 4.737 50 0 HJAARM O=c1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)[n-]nc1Cc1ccc(Cl)cc1 ZINC000016777478 558806563 /nfs/dbraw/zinc/80/65/63/558806563.db2.gz BIVQJTXSPDOAFD-UHFFFAOYSA-N -1 0 415.202 4.825 50 0 HJAARM CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=O)CCC(=O)[O-] ZINC000038990717 558819758 /nfs/dbraw/zinc/81/97/58/558819758.db2.gz SAIPSZMZTANCFE-GOSISDBHSA-N -1 0 409.404 4.539 50 0 in-vitro HJAARM C[C@@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C(=O)NC1CCCCC1)CCCCC2 ZINC000017092399 558820802 /nfs/dbraw/zinc/82/08/02/558820802.db2.gz XMZPCPLLZQAJEA-CQSZACIVSA-N -1 0 420.575 4.519 50 0 HJAARM CC[C@H]1CCc2c(sc(NC(=O)CCCC(=O)[O-])c2C(=O)NC2CCCCC2)C1 ZINC000017092406 558820819 /nfs/dbraw/zinc/82/08/19/558820819.db2.gz PRASCWGCCXXTBT-AWEZNQCLSA-N -1 0 420.575 4.519 50 0 HJAARM Cc1ccccc1C(=O)Nc1ccc2nc(N3CCCCCC3)cc(C(=O)[O-])c2c1 ZINC000033010220 558829681 /nfs/dbraw/zinc/82/96/81/558829681.db2.gz OJOCRNMETTZXRO-UHFFFAOYSA-N -1 0 403.482 4.874 50 0 HJAARM COC(=O)c1c2c(sc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-])C[C@H](C(C)(C)C)CC2 ZINC000004638665 558885685 /nfs/dbraw/zinc/88/56/85/558885685.db2.gz BQUYVTSRZJNFJW-MGPQQGTHSA-N -1 0 421.559 4.515 50 0 HJAARM O=C([O-])[C@@H](CC(=O)NCCC12CC3CC(CC(C3)C1)C2)Cc1ccc(Cl)cc1 ZINC000004698077 558906517 /nfs/dbraw/zinc/90/65/17/558906517.db2.gz LGGFUJZHTJCELL-GYVBGXKYSA-N -1 0 403.950 4.696 50 0 HJAARM CCc1ccc(S(=O)(=O)[N-]c2cc(-c3cccs3)nn2-c2ccccc2)cc1 ZINC000095642072 559087784 /nfs/dbraw/zinc/08/77/84/559087784.db2.gz KJTITGSAONQVPY-UHFFFAOYSA-N -1 0 409.536 4.964 50 0 HJAARM CC[C@@H](C)n1c(CNC(=O)c2cccc(C(F)(F)F)c2)nc2cc(C(=O)[O-])ccc21 ZINC000035620457 559187509 /nfs/dbraw/zinc/18/75/09/559187509.db2.gz JURJUPABOACTAB-GFCCVEGCSA-N -1 0 419.403 4.654 50 0 HJAARM Cc1ccc(N2[N-]C(=O)/C(=C\c3ccc(N(C)CCC(C)C)cc3)C2=O)cc1Cl ZINC000002125610 559274876 /nfs/dbraw/zinc/27/48/76/559274876.db2.gz NCFZVJJPLYUXPN-DEDYPNTBSA-N -1 0 411.933 4.592 50 0 HJAARM O=S(=O)([N-]c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1)c1ccccc1 ZINC000005332547 560566556 /nfs/dbraw/zinc/56/65/56/560566556.db2.gz FLGPKGFGXIATRM-UHFFFAOYSA-N -1 0 409.898 4.994 50 0 HJAARM COc1cc([C@@H]2CC(c3ccccc3)=NN2c2ccccc2)ccc1OCC(=O)[O-] ZINC000005416575 560584661 /nfs/dbraw/zinc/58/46/61/560584661.db2.gz BPERWKHCZSFQRP-NRFANRHFSA-N -1 0 402.450 4.514 50 0 HJAARM CCOc1ccccc1Nc1nc(-c2ccc(OC)c(OC)c2)c(CC(=O)[O-])s1 ZINC000004706724 560610882 /nfs/dbraw/zinc/61/08/82/560610882.db2.gz KTNZOIJMVVNKKJ-UHFFFAOYSA-N -1 0 414.483 4.597 50 0 HJAARM COC(=O)c1ccc(Oc2nc(-c3cccc(OC)c3[O-])nc3ccccc32)cc1 ZINC000005576887 560624738 /nfs/dbraw/zinc/62/47/38/560624738.db2.gz ODFFTYCWINFSKI-UHFFFAOYSA-N -1 0 402.406 4.590 50 0 HJAARM Cc1nc(-n2[n-]c(C)c(Cc3ccc(C)cc3)c2=O)sc1C(=O)Nc1ccccc1 ZINC000101505440 560796714 /nfs/dbraw/zinc/79/67/14/560796714.db2.gz KYQXIBVYHYKHCS-UHFFFAOYSA-N -1 0 418.522 4.803 50 0 HJAARM Cc1nc(-n2[n-]c(C)c(CCC(=O)Nc3cccc(C(F)(F)F)c3)c2=O)sc1C ZINC000101833211 560803141 /nfs/dbraw/zinc/80/31/41/560803141.db2.gz QLBTZASTQXFGSB-UHFFFAOYSA-N -1 0 424.448 4.550 50 0 HJAARM CCc1ccc([C@@H]2c3c(=O)nc4[n-]c(C)nn4c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000102542389 560814480 /nfs/dbraw/zinc/81/44/80/560814480.db2.gz BIMBWASQKQHJLV-KRWDZBQOSA-N -1 0 403.486 4.551 50 0 HJAARM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1ccc(C)c(F)c1 ZINC000064670189 560827771 /nfs/dbraw/zinc/82/77/71/560827771.db2.gz PBCGQBWTVWQPPF-UHFFFAOYSA-N -1 0 406.504 4.766 50 0 HJAARM CC(C)OC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000005727284 560854452 /nfs/dbraw/zinc/85/44/52/560854452.db2.gz HYEXJGHCCCQSNE-HZPDHXFCSA-N -1 0 413.495 4.586 50 0 HJAARM Cc1ccc([C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000221538167 568510038 /nfs/dbraw/zinc/51/00/38/568510038.db2.gz CPAAZTTVXJKSDW-QFIPXVFZSA-N -1 0 401.462 4.702 50 0 HJAARM COc1cc([N-]S(=O)(=O)c2cc(-c3nc(C)c(C)s3)sc2C)cc(OC)c1 ZINC000033169469 568511587 /nfs/dbraw/zinc/51/15/87/568511587.db2.gz ODSCHHJAMOIXDF-UHFFFAOYSA-N -1 0 424.569 4.615 50 0 HJAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000020977829 568653972 /nfs/dbraw/zinc/65/39/72/568653972.db2.gz GNOFHCQLSQHYSK-UHFFFAOYSA-N -1 0 418.418 4.540 50 0 HJAARM CC(C)Cn1c2ccc(C(=O)[O-])cc2nc1[C@H](C)NC(=S)Nc1ccccc1F ZINC000096289634 568720164 /nfs/dbraw/zinc/72/01/64/568720164.db2.gz GEGRHPXWDLIISO-ZDUSSCGKSA-N -1 0 414.506 4.577 50 0 HJAARM C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(OCC(=O)[O-])cc1 ZINC000685944886 568722775 /nfs/dbraw/zinc/72/27/75/568722775.db2.gz GSTQYTCTNOSAQG-MRXNPFEDSA-N -1 0 417.461 4.750 50 0 HJAARM CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])sc(C)c1-c1ccccc1 ZINC000005953050 568832135 /nfs/dbraw/zinc/83/21/35/568832135.db2.gz RFDFVGVRSUKMKA-HZPDHXFCSA-N -1 0 413.495 4.506 50 0 HJAARM CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])sc(C)c1-c1ccccc1 ZINC000005953052 568832173 /nfs/dbraw/zinc/83/21/73/568832173.db2.gz RFDFVGVRSUKMKA-HOTGVXAUSA-N -1 0 413.495 4.506 50 0 HJAARM O=C(Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1)C1CC1 ZINC000012526376 568843236 /nfs/dbraw/zinc/84/32/36/568843236.db2.gz ORUQRBWTCVWEDW-UHFFFAOYSA-N -1 0 418.824 4.508 50 0 HJAARM Oc1ccccc1C1=N[C@@H](c2ccc(Br)cc2)N[C@H](c2ccccn2)C1 ZINC000058015118 568876237 /nfs/dbraw/zinc/87/62/37/568876237.db2.gz RVTUSWBLGPRBKK-PZJWPPBQSA-N -1 0 408.299 4.772 50 0 HJAARM Cc1ccc(C2C(=O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(C(=O)[O-])cc2)cc1 ZINC000045942083 568921156 /nfs/dbraw/zinc/92/11/56/568921156.db2.gz SAKPQUJNIRLTDJ-NRFANRHFSA-N -1 0 403.409 4.890 50 0 HJAARM COc1ccccc1NC(=O)c1ccc2c(c1)[n-]c(=S)n(C1CCCCC1)c2=O ZINC000003631079 568921198 /nfs/dbraw/zinc/92/11/98/568921198.db2.gz SFFDAAZMLWWPQY-UHFFFAOYSA-N -1 0 409.511 4.825 50 0 HJAARM Cc1ccc(-c2nnc(SCc3c(F)cccc3Cl)n2CCC(=O)[O-])cc1 ZINC000012749295 568936817 /nfs/dbraw/zinc/93/68/17/568936817.db2.gz RCNYXBGIKLRSIN-UHFFFAOYSA-N -1 0 405.882 4.813 50 0 HJAARM C[C@@H](c1cccnc1)N1CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])CC1 ZINC000084661104 568954993 /nfs/dbraw/zinc/95/49/93/568954993.db2.gz DCIJUIWCAIUXQV-KRWDZBQOSA-N -1 0 421.928 4.627 50 0 HJAARM O=C([O-])c1cccc(NC(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 ZINC000004258297 568955593 /nfs/dbraw/zinc/95/55/93/568955593.db2.gz LLPHJJUTLVBKGR-UHFFFAOYSA-N -1 0 405.494 4.870 50 0 HJAARM CCCCc1c(C)[n-]n(-c2nc(C)c(C(=O)Nc3cccc(Cl)c3)s2)c1=O ZINC000015671478 568962028 /nfs/dbraw/zinc/96/20/28/568962028.db2.gz DNKCWXRDHVGIMS-UHFFFAOYSA-N -1 0 404.923 4.900 50 0 HJAARM O=C([O-])c1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000038204493 568978982 /nfs/dbraw/zinc/97/89/82/568978982.db2.gz GPJVCAWCTLZRCP-NVNXTCNLSA-N -1 0 408.262 4.928 50 0 HJAARM C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1)c1ccccc1 ZINC000014155815 569005130 /nfs/dbraw/zinc/00/51/30/569005130.db2.gz GYGLOQJFXILQQP-OAHLLOKOSA-N -1 0 414.914 4.632 50 0 HJAARM COC(=O)c1c(NC(=O)CCC(=O)[O-])sc(C)c1-c1ccc(C(C)(C)C)cc1 ZINC000006184227 569029007 /nfs/dbraw/zinc/02/90/07/569029007.db2.gz XWTVPGGPNOXYNA-UHFFFAOYSA-N -1 0 403.500 4.611 50 0 HJAARM O=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1ccco1 ZINC000006226110 569033605 /nfs/dbraw/zinc/03/36/05/569033605.db2.gz WFVIKSMBUFYUAP-UHFFFAOYSA-N -1 0 411.266 4.640 50 0 HJAARM Cc1c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2oc(=O)c1Cc1ccccc1 ZINC000000622142 569060238 /nfs/dbraw/zinc/06/02/38/569060238.db2.gz XYTMZIZVSLIKBW-UHFFFAOYSA-N -1 0 400.430 4.969 50 0 biogenic HJAARM O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cc(Cl)c([O-])c(Cl)c1 ZINC000006583734 569068007 /nfs/dbraw/zinc/06/80/07/569068007.db2.gz HIOWVBGCZXLKIM-UHFFFAOYSA-N -1 0 417.296 4.936 50 0 HJAARM Cc1nn(C[C@H](C)c2n[n-]c(=S)n2-c2cc(C)ccc2C)c(C)c1Br ZINC000006627143 569076008 /nfs/dbraw/zinc/07/60/08/569076008.db2.gz DWRBYNFLOQQTSN-LBPRGKRZSA-N -1 0 420.380 4.926 50 0 HJAARM Cc1csc(-c2cc(S(=O)(=O)[N-]c3ccccc3C(F)(F)F)c(C)n2C)n1 ZINC000064668181 569078670 /nfs/dbraw/zinc/07/86/70/569078670.db2.gz UMHJQLMRGLSGKS-UHFFFAOYSA-N -1 0 415.462 4.585 50 0 HJAARM COc1ccc([C@H]2[C@@H](C(=O)[O-])c3ccccc3C(=O)N2Cc2ccc(C)cc2)cc1 ZINC000006778505 569118872 /nfs/dbraw/zinc/11/88/72/569118872.db2.gz UCMIYPBWPVVYOC-GOTSBHOMSA-N -1 0 401.462 4.569 50 0 HJAARM CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCCC4)o3)s2)cc1 ZINC000064920679 569121249 /nfs/dbraw/zinc/12/12/49/569121249.db2.gz DVRGDIROGCFUJZ-UHFFFAOYSA-N -1 0 419.528 4.655 50 0 HJAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2csc(C)n2)ccc1OCC ZINC000065060290 569163999 /nfs/dbraw/zinc/16/39/99/569163999.db2.gz OZZAUDLGXZKPKZ-UHFFFAOYSA-N -1 0 418.540 4.717 50 0 HJAARM O=S(=O)([N-]c1ccccc1)c1cc(-c2nc(-c3ccc(Cl)cc3)no2)cs1 ZINC000065098013 569176884 /nfs/dbraw/zinc/17/68/84/569176884.db2.gz XYKCIBAHIKPVSQ-UHFFFAOYSA-N -1 0 417.899 4.919 50 0 HJAARM Cc1c2c(cc(=O)n1CCc1c[nH]c3ccc(Cl)cc13)[n-]n(-c1ccccc1)c2=O ZINC000036579861 569202922 /nfs/dbraw/zinc/20/29/22/569202922.db2.gz SLDHINQWUANIQF-UHFFFAOYSA-N -1 0 418.884 4.530 50 0 HJAARM O=C([O-])[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1c(F)cccc1F ZINC000226772572 569279396 /nfs/dbraw/zinc/27/93/96/569279396.db2.gz DBMFFZYWHYFRLO-NRFANRHFSA-N -1 0 409.388 4.629 50 0 HJAARM O=C([O-])c1nsc2c1NC(=O)C[C@H]2c1ccc(OCc2cccc(Cl)c2)cc1 ZINC000066091602 569314536 /nfs/dbraw/zinc/31/45/36/569314536.db2.gz MJCLSHCILWTCSM-HNNXBMFYSA-N -1 0 414.870 4.548 50 0 HJAARM O=C(Nc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000013074369 569408690 /nfs/dbraw/zinc/40/86/90/569408690.db2.gz NDSJWLNBSTYICL-UHFFFAOYSA-N -1 0 420.412 4.759 50 0 HJAARM COc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000013358250 569411512 /nfs/dbraw/zinc/41/15/12/569411512.db2.gz URZREDQECMGTRY-UHFFFAOYSA-N -1 0 412.895 4.720 50 0 HJAARM O=C([O-])c1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1 ZINC000079491578 569432540 /nfs/dbraw/zinc/43/25/40/569432540.db2.gz KXGKZFBQOAVYSF-KRWDZBQOSA-N -1 0 401.488 4.606 50 0 HJAARM CCCCn1nc([N-]S(=O)(=O)c2ccc(Cl)cc2)c2cc3ccccc3nc21 ZINC000009013462 571210817 /nfs/dbraw/zinc/21/08/17/571210817.db2.gz RQUJDFYUDSDPPL-UHFFFAOYSA-N -1 0 414.918 4.839 50 0 HJAARM Cc1cc(-c2nc3cccnc3s2)ccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000009403968 571255201 /nfs/dbraw/zinc/25/52/01/571255201.db2.gz PQPRIKKBFZVJKS-UHFFFAOYSA-N -1 0 417.462 4.746 50 0 HJAARM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)s2)on1 ZINC000009688914 571280233 /nfs/dbraw/zinc/28/02/33/571280233.db2.gz GNORZMGENLDUPC-UHFFFAOYSA-N -1 0 420.512 4.504 50 0 HJAARM C[C@@](CNC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)[O-])c1ccc(F)cc1 ZINC000685939410 571314072 /nfs/dbraw/zinc/31/40/72/571314072.db2.gz VGWFXZCESISYMG-VWLOTQADSA-N -1 0 419.452 4.707 50 0 HJAARM COc1cc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(Cl)c4)c32)ccc1O ZINC000040268506 522925696 /nfs/dbraw/zinc/92/56/96/522925696.db2.gz YMXQVGYHBCQMIJ-AWEZNQCLSA-N -1 0 412.829 4.667 50 0 HJAARM Cc1cc(C)cc(C[C@H](CC(=O)[O-])C(=O)Nc2ccc(C)c(Br)c2)c1 ZINC000001423575 524398635 /nfs/dbraw/zinc/39/86/35/524398635.db2.gz HLOKLEFBNPCIPD-MRXNPFEDSA-N -1 0 404.304 4.646 50 0 HJAARM Cc1cccc2c1N(C)C(=O)[C@]21CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccccc1 ZINC000032072856 524951320 /nfs/dbraw/zinc/95/13/20/524951320.db2.gz DXPKNVSDGQQBQK-HSZRJFAPSA-N -1 0 418.474 4.676 50 0 HJAARM O=C([O-])[C@@H](Cc1ccc(Cl)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000000621940 557018993 /nfs/dbraw/zinc/01/89/93/557018993.db2.gz CQPNKLNINBUUOM-JOCHJYFZSA-N -1 0 421.880 4.874 50 0 HJAARM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c(Cl)c1Cl ZINC000000628151 557024052 /nfs/dbraw/zinc/02/40/52/557024052.db2.gz OSOYHMGEWQLWJZ-UHFFFAOYSA-N -1 0 411.104 4.565 50 0 HJAARM O=S(=O)([N-]c1cccc(CCc2ccccn2)c1)c1cc(Cl)ccc1Cl ZINC000001024890 557144778 /nfs/dbraw/zinc/14/47/78/557144778.db2.gz DYCQUAOZXPKXNF-UHFFFAOYSA-N -1 0 407.322 4.974 50 0 HJAARM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCCC3)ccc2Cl)c1C ZINC000001066655 557166629 /nfs/dbraw/zinc/16/66/29/557166629.db2.gz MGYPWRIQHAKNAV-UHFFFAOYSA-N -1 0 420.962 4.774 50 0 HJAARM O=C(NCc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000001078506 557174939 /nfs/dbraw/zinc/17/49/39/557174939.db2.gz OXJJOTYRPXTZNB-UHFFFAOYSA-N -1 0 416.502 4.571 50 0 HJAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cccc(Cl)c2)cc1 ZINC000001165503 557220599 /nfs/dbraw/zinc/22/05/99/557220599.db2.gz XVANFEDYNNZCCE-UHFFFAOYSA-N -1 0 400.887 4.702 50 0 HJAARM Cc1ccccc1C[C@@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002385947 557342851 /nfs/dbraw/zinc/34/28/51/557342851.db2.gz YOSGJRFPFRIFNX-IBGZPJMESA-N -1 0 415.489 4.920 50 0 HJAARM CCCCSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002583228 557358284 /nfs/dbraw/zinc/35/82/84/557358284.db2.gz DWKYMIMIHMHMMY-NRFANRHFSA-N -1 0 413.539 4.902 50 0 HJAARM O=C([O-])[C@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCc2ccccc2C1 ZINC000004262341 557532907 /nfs/dbraw/zinc/53/29/07/557532907.db2.gz PRKGWEACQDXDDT-SANMLTNESA-N -1 0 413.473 4.537 50 0 HJAARM Cc1ccc(-n2c(SCc3ccc(C(=O)[O-])cc3)nnc2-c2ccncc2)cc1 ZINC000004608075 557571575 /nfs/dbraw/zinc/57/15/75/557571575.db2.gz QUWKINLXMRTFOV-UHFFFAOYSA-N -1 0 402.479 4.628 50 0 HJAARM CSc1ccccc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000005050565 557630345 /nfs/dbraw/zinc/63/03/45/557630345.db2.gz CLBUTNZCCAWULO-UHFFFAOYSA-N -1 0 412.536 4.770 50 0 HJAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccccc2OC(F)F)C1 ZINC000006561203 557708153 /nfs/dbraw/zinc/70/81/53/557708153.db2.gz SFYIDGOBRTZHDC-RVDMUPIBSA-N -1 0 410.420 4.911 50 0 HJAARM CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])sc(C)c1-c1ccccc1 ZINC000002761551 557755605 /nfs/dbraw/zinc/75/56/05/557755605.db2.gz SFCDLQGMQIBEKE-JKSUJKDBSA-N -1 0 415.511 4.730 50 0 HJAARM O=C([O-])c1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1 ZINC000009359261 557839575 /nfs/dbraw/zinc/83/95/75/557839575.db2.gz ZRBAIHYMBKKIBP-UHFFFAOYSA-N -1 0 422.897 4.973 50 0 HJAARM C[C@@H]1CCCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(F)cc2)C1 ZINC000022852204 557839799 /nfs/dbraw/zinc/83/97/99/557839799.db2.gz DVIMSPQILAHPRU-DYVFJYSZSA-N -1 0 412.490 4.717 50 0 HJAARM O=C([O-])Cc1csc(S[C@@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)n1 ZINC000012985897 558495240 /nfs/dbraw/zinc/49/52/40/558495240.db2.gz KFISIHIZTHWJCE-HXUWFJFHSA-N -1 0 408.504 4.968 50 0 HJAARM Cc1c(Cl)cccc1NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000013679649 558565997 /nfs/dbraw/zinc/56/59/97/558565997.db2.gz XWLKEPKXTHSCKJ-UHFFFAOYSA-N -1 0 406.916 4.763 50 0 HJAARM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1Cl ZINC000013683376 558567961 /nfs/dbraw/zinc/56/79/61/558567961.db2.gz UZTULGXSVWLLLY-UHFFFAOYSA-N -1 0 406.916 4.763 50 0 HJAARM COc1cccc([C@@H]2Nc3c(C(=O)[O-])cccc3[C@H]3c4ccccc4C[C@@H]32)c1OC ZINC000004458477 558590135 /nfs/dbraw/zinc/59/01/35/558590135.db2.gz REQDACGXRQSKGJ-WPYKKVEZSA-N -1 0 401.462 4.873 50 0 HJAARM O=C([O-])c1ccc(Cl)cc1NC(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000013843335 558597323 /nfs/dbraw/zinc/59/73/23/558597323.db2.gz JKMQSWOURHGQSR-UHFFFAOYSA-N -1 0 400.843 4.604 50 0 HJAARM O=c1nc(CN2CCc3ccccc3C2)[n-]c2cc(-c3ccc(Cl)cc3)sc21 ZINC000025573182 558644363 /nfs/dbraw/zinc/64/43/63/558644363.db2.gz BQRCZFMEDYKJAU-UHFFFAOYSA-N -1 0 407.926 4.863 50 0 HJAARM CC(C)c1ccc(S(=O)(=O)[N-]c2cnn(Cc3ccc(F)cc3Cl)c2)cc1 ZINC000017087802 558816587 /nfs/dbraw/zinc/81/65/87/558816587.db2.gz MPJIJHJASMKCDH-UHFFFAOYSA-N -1 0 407.898 4.648 50 0 HJAARM CCC[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000017088152 558817020 /nfs/dbraw/zinc/81/70/20/558817020.db2.gz NGJQWVPKBLRUTJ-OAHLLOKOSA-N -1 0 408.951 4.676 50 0 HJAARM CC(C)c1cc(C(=O)Nc2ccccc2)c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])s1 ZINC000017089209 558817900 /nfs/dbraw/zinc/81/79/00/558817900.db2.gz HVBOIAVSULWUQH-CVEARBPZSA-N -1 0 412.511 4.729 50 0 HJAARM C[C@H]1CCc2c(sc3[nH]c(=S)n(-c4cc(Cl)c([O-])c(Cl)c4)c(=O)c32)C1 ZINC000017089501 558818203 /nfs/dbraw/zinc/81/82/03/558818203.db2.gz XIOSJCCYWGFQAB-ZETCQYMHSA-N -1 0 413.351 4.873 50 0 HJAARM Cc1c(C=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c2ccccc2n1C ZINC000000693840 558829927 /nfs/dbraw/zinc/82/99/27/558829927.db2.gz VRABVERXOLTNLH-LDADJPATSA-N -1 0 403.507 4.775 50 0 HJAARM C[C@@H]1CCC[C@H](NC(=O)CCCCCn2c(=O)c3ccccc3[n-]c2=S)[C@@H]1C ZINC000004598970 558834926 /nfs/dbraw/zinc/83/49/26/558834926.db2.gz VTWXUZQHWIVEBV-NUJGCVRESA-N -1 0 401.576 4.560 50 0 HJAARM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)cs2)c1 ZINC000033173705 558901802 /nfs/dbraw/zinc/90/18/02/558901802.db2.gz IZQVNXRUWZEDLJ-UHFFFAOYSA-N -1 0 402.419 4.840 50 0 HJAARM O=C([O-])C[C@H](Cc1ccc(Cl)cc1)C(=O)NCCC12CC3CC(CC(C3)C1)C2 ZINC000004698245 558906521 /nfs/dbraw/zinc/90/65/21/558906521.db2.gz OIDRSYZHAHJTOX-HJGBXLFDSA-N -1 0 403.950 4.696 50 0 HJAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098072989 559126622 /nfs/dbraw/zinc/12/66/22/559126622.db2.gz XNIDJFAFBJLGFX-UHFFFAOYSA-N -1 0 424.238 4.667 50 0 HJAARM CCCc1[n-]n(C(=O)C=Cc2cccs2)c(=O)c1Cc1c(F)cccc1Cl ZINC000100313575 559134014 /nfs/dbraw/zinc/13/40/14/559134014.db2.gz QKBNEOPKPLNGCX-FEAKQIBJSA-N -1 0 404.894 4.938 50 0 HJAARM CCCCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000005219760 560544353 /nfs/dbraw/zinc/54/43/53/560544353.db2.gz YTYAKTQYQSJGFX-UHFFFAOYSA-N -1 0 404.923 4.686 50 0 HJAARM O=C([O-])CC1=C(Nc2ccccc2)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1F ZINC000005351285 560569053 /nfs/dbraw/zinc/56/90/53/560569053.db2.gz JECASEIARZIQCF-HSZRJFAPSA-N -1 0 402.425 4.755 50 0 HJAARM COc1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c(Cl)cc1Cl ZINC000005356951 560569561 /nfs/dbraw/zinc/56/95/61/560569561.db2.gz PUNIUPWELWJHRD-UHFFFAOYSA-N -1 0 400.205 4.822 50 0 HJAARM CCCCc1ccc(S(=O)(=O)[N-]c2ccn(C34CC5CC(CC(C5)C3)C4)n2)cc1 ZINC000005598712 560628644 /nfs/dbraw/zinc/62/86/44/560628644.db2.gz AAUXPVDHWCNLPA-UHFFFAOYSA-N -1 0 413.587 4.952 50 0 HJAARM Cc1ccc(-n2nc3c4cc(C(=O)Nc5ccccc5)ccc4[n-]cc-3c2=O)cc1C ZINC000101827961 560802642 /nfs/dbraw/zinc/80/26/42/560802642.db2.gz AORAAGBOAZSLML-UHFFFAOYSA-N -1 0 408.461 4.688 50 0 HJAARM O=C1C[C@H](c2cccs2)CC2=Nc3nonc3N[C@@H](c3ccc4c(c3)OCCO4)C12 ZINC000102750984 560825522 /nfs/dbraw/zinc/82/55/22/560825522.db2.gz OULKSYCWRVBARL-BLVKFPJESA-N -1 0 422.466 4.531 50 0 HJAARM Cc1c(C)c(NC(=O)c2ccccc2)cc(S(=O)(=O)c2ccc(Cl)cc2)c1[O-] ZINC000000719224 568466028 /nfs/dbraw/zinc/46/60/28/568466028.db2.gz HYTQEFUQZONVBR-UHFFFAOYSA-N -1 0 415.898 4.748 50 0 HJAARM O=C([O-])[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)cc1 ZINC000221538071 568510042 /nfs/dbraw/zinc/51/00/42/568510042.db2.gz MRKNBVBFPVLABO-OAQYLSRUSA-N -1 0 405.425 4.533 50 0 HJAARM O=C([O-])[C@H](NC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1)c1ccccc1 ZINC000020745526 568641443 /nfs/dbraw/zinc/64/14/43/568641443.db2.gz HXPRCWLPDRFEDV-QGZVFWFLSA-N -1 0 421.305 4.602 50 0 HJAARM COC(=O)C[C@H](c1ccsc1)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096115081 568694536 /nfs/dbraw/zinc/69/45/36/568694536.db2.gz CCQKIALDOBRBLY-QGZVFWFLSA-N -1 0 422.458 4.628 50 0 biogenic HJAARM Cc1ccc(N2C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@H](c4cccs4)[C@@H]3C2=O)cc1 ZINC000229886569 568715868 /nfs/dbraw/zinc/71/58/68/568715868.db2.gz KCHGDRJDKWKBQG-XUVXKRRUSA-N -1 0 424.909 4.761 50 0 HJAARM Cc1c(Cl)cccc1NC(=O)C[C@@H](Cc1ccc(Br)cc1)C(=O)[O-] ZINC000000864894 568722331 /nfs/dbraw/zinc/72/23/31/568722331.db2.gz JABSKKCKHRXDTG-CYBMUJFWSA-N -1 0 410.695 4.683 50 0 HJAARM [O-]c1c(I)c(Cl)c(Cl)cc1-c1nc2ccccc2[nH]1 ZINC000096563864 568760600 /nfs/dbraw/zinc/76/06/00/568760600.db2.gz HNROQWKZWKKZOX-UHFFFAOYSA-N -1 0 405.022 4.847 50 0 HJAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1Cl ZINC000002636429 568792190 /nfs/dbraw/zinc/79/21/90/568792190.db2.gz JGULVUKFZSHRLQ-UHFFFAOYSA-N -1 0 414.188 4.511 50 0 HJAARM Cc1oc(C)c(C(=O)Nc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1C ZINC000030121072 568858015 /nfs/dbraw/zinc/85/80/15/568858015.db2.gz IMGRFZPXTMMSJY-UHFFFAOYSA-N -1 0 418.902 4.911 50 0 HJAARM CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)CCCOc2ccc(Cl)cc2C)cc1 ZINC000003624355 568864640 /nfs/dbraw/zinc/86/46/40/568864640.db2.gz WSVURFIYNJHXEA-LJQANCHMSA-N -1 0 419.905 4.538 50 0 HJAARM Oc1ccccc1C1=N[C@@H](c2ccc(Br)cc2)N[C@@H](c2ccccn2)C1 ZINC000058015123 568876191 /nfs/dbraw/zinc/87/61/91/568876191.db2.gz RVTUSWBLGPRBKK-TZIWHRDSSA-N -1 0 408.299 4.772 50 0 HJAARM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1Cl ZINC000031721515 568929821 /nfs/dbraw/zinc/92/98/21/568929821.db2.gz HONXQMFXKKCNHN-UHFFFAOYSA-N -1 0 410.742 4.752 50 0 HJAARM Cc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3cc4ccccc4nc3Cl)C2)cc1 ZINC000004171955 568948269 /nfs/dbraw/zinc/94/82/69/568948269.db2.gz GLZGQAMTTTWYAC-HXUWFJFHSA-N -1 0 421.884 4.739 50 0 HJAARM Cc1csc([N-]C(NC(=O)c2ccccc2Cl)(C(F)(F)F)C(F)(F)F)n1 ZINC000008445279 569003683 /nfs/dbraw/zinc/00/36/83/569003683.db2.gz ARJPWAAMFPVDDO-UHFFFAOYSA-N -1 0 417.762 4.768 50 0 HJAARM Cc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c(Cl)c1 ZINC000006146674 569014516 /nfs/dbraw/zinc/01/45/16/569014516.db2.gz YHGOHJWHTPDWRG-UHFFFAOYSA-N -1 0 418.877 4.841 50 0 HJAARM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000064670116 569079058 /nfs/dbraw/zinc/07/90/58/569079058.db2.gz HWPLEFXWKXVXLO-UHFFFAOYSA-N -1 0 408.932 4.971 50 0 HJAARM COc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(C)cc2)cc1OC ZINC000064795997 569096363 /nfs/dbraw/zinc/09/63/63/569096363.db2.gz LOCKMMQRLQLCAR-HNNXBMFYSA-N -1 0 423.490 4.913 50 0 HJAARM CCOc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(OC)cc2)cc1 ZINC000064796776 569096767 /nfs/dbraw/zinc/09/67/67/569096767.db2.gz JMRYZUIKOVMEBI-QGZVFWFLSA-N -1 0 423.490 4.995 50 0 HJAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2cccc(F)c2F)CC(=O)N3)cc1 ZINC000064797001 569096795 /nfs/dbraw/zinc/09/67/95/569096795.db2.gz RXTGPJAVHFLLMD-CYBMUJFWSA-N -1 0 415.417 4.874 50 0 HJAARM CCCCC(=O)Nc1cc(C(=O)[O-])ccc1N1CCN(c2cccc(C)c2)[C@H](C)C1 ZINC000064820787 569102678 /nfs/dbraw/zinc/10/26/78/569102678.db2.gz WJKBDUTYAWTCJS-GOSISDBHSA-N -1 0 409.530 4.537 50 0 HJAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)s2)cc1Cl ZINC000065004161 569152364 /nfs/dbraw/zinc/15/23/64/569152364.db2.gz QBMWQYVEVSDDFD-UHFFFAOYSA-N -1 0 410.904 4.743 50 0 HJAARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)s2)c1C ZINC000065031352 569157326 /nfs/dbraw/zinc/15/73/26/569157326.db2.gz BGJCGNIAEYEZMG-UHFFFAOYSA-N -1 0 402.419 4.840 50 0 HJAARM C[C@H]1CCc2c(sc3[nH]c(=O)c(C(=O)Nc4ccc(Cl)c(Cl)c4)c([O-])c23)C1 ZINC000065150401 569184835 /nfs/dbraw/zinc/18/48/35/569184835.db2.gz MISOIBCYKODMMW-QMMMGPOBSA-N -1 0 423.321 4.979 50 0 HJAARM CCn1c2ccsc2c([O-])c(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1=O ZINC000065215462 569197607 /nfs/dbraw/zinc/19/76/07/569197607.db2.gz QACWYSBJHSVJAE-UHFFFAOYSA-N -1 0 416.808 4.713 50 0 HJAARM COc1ccc2cc(-c3oc4c(c3CC(=O)[O-])c(=O)oc3ccccc43)ccc2c1 ZINC000524730462 569291559 /nfs/dbraw/zinc/29/15/59/569291559.db2.gz KDBCKDFOVCUYLY-UHFFFAOYSA-N -1 0 400.386 4.995 50 0 biogenic HJAARM O=C1C[C@H](c2ccncc2)c2c(cc([O-])c3c(=O)c(-c4ccc(Cl)cc4)coc32)O1 ZINC000253412694 569366667 /nfs/dbraw/zinc/36/66/67/569366667.db2.gz RSZIQIMEVSHYGG-OAHLLOKOSA-N -1 0 419.820 4.655 50 0 biogenic HJAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2SC(F)F)cc1OCC ZINC000007940295 569385685 /nfs/dbraw/zinc/38/56/85/569385685.db2.gz DZPVSOPJHRFJEW-UHFFFAOYSA-N -1 0 403.472 4.600 50 0 HJAARM O=C([O-])c1[nH]c2ccc(F)cc2c1NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1 ZINC000002396719 569394446 /nfs/dbraw/zinc/39/44/46/569394446.db2.gz MPYFDCPGUPNQDK-LJQANCHMSA-N -1 0 414.436 4.950 50 0 HJAARM O=C(CCn1c(-c2ccccc2)cc2ccccc21)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000238900030 571046596 /nfs/dbraw/zinc/04/65/96/571046596.db2.gz HUIALZQIOPPUPQ-KESTWPANSA-N -1 0 404.510 4.706 50 0 HJAARM COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000009002258 571209863 /nfs/dbraw/zinc/20/98/63/571209863.db2.gz OJJHYMLZHNJTMJ-UHFFFAOYSA-N -1 0 415.536 4.928 50 0 HJAARM O=c1oc2cc([O-])ccc2cc1-c1nnc(Nc2ccccc2Br)s1 ZINC000009246785 571241442 /nfs/dbraw/zinc/24/14/42/571241442.db2.gz PQDGKDWBNLEJLN-UHFFFAOYSA-N -1 0 416.256 4.523 50 0 HJAARM O=C1Nc2ccccc2Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc21 ZINC000009827904 571286700 /nfs/dbraw/zinc/28/67/00/571286700.db2.gz PXLQJPLDMWHLEU-UHFFFAOYSA-N -1 0 406.872 4.560 50 0 HJAARM O=C([O-])c1ccc(CNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000010434345 571302703 /nfs/dbraw/zinc/30/27/03/571302703.db2.gz HYRGRNNCXDNWNT-UHFFFAOYSA-N -1 0 418.927 4.570 50 0 HJAARM COc1cc(/C=C(\F)C(=O)Nc2ccccc2C(=O)[O-])ccc1OCc1ccccc1 ZINC000077024549 521922589 /nfs/dbraw/zinc/92/25/89/521922589.db2.gz XOYYXNJVCSSNBQ-UYRXBGFRSA-N -1 0 421.424 4.922 50 0 HJAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCC(C)C)ccc2Cl)cc1 ZINC000040160825 524689762 /nfs/dbraw/zinc/68/97/62/524689762.db2.gz XHWNRVRBENDARF-UHFFFAOYSA-N -1 0 410.923 4.524 50 0 HJAARM O=C([O-])c1sc2c(c1-c1ccc(Cl)cc1)NC(=O)C[C@]21C(=O)Nc2ccccc21 ZINC000032092625 526411597 /nfs/dbraw/zinc/41/15/97/526411597.db2.gz LLXZFPGOLUIKKL-OAQYLSRUSA-N -1 0 424.865 4.997 50 0 HJAARM O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000001072581 557170579 /nfs/dbraw/zinc/17/05/79/557170579.db2.gz PMTBRVASEFQIPJ-UHFFFAOYSA-N -1 0 420.412 4.759 50 0 HJAARM O=C([O-])c1ccccc1S[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O ZINC000001122539 557192412 /nfs/dbraw/zinc/19/24/12/557192412.db2.gz MTGYNXBQCPYLDK-FQEVSTJZSA-N -1 0 419.458 4.601 50 0 HJAARM C[C@@H](Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000001225209 557248880 /nfs/dbraw/zinc/24/88/80/557248880.db2.gz JTBAALZQLYMVKY-MRXNPFEDSA-N -1 0 404.495 4.604 50 0 HJAARM CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c2ccccc21 ZINC000001886617 557294214 /nfs/dbraw/zinc/29/42/14/557294214.db2.gz FJLGEFLZQAZZCD-MCBHFWOFSA-N -1 0 411.473 4.628 50 0 fda HJAARM Cc1ccccc1C[C@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002385819 557342909 /nfs/dbraw/zinc/34/29/09/557342909.db2.gz YOSGJRFPFRIFNX-LJQANCHMSA-N -1 0 415.489 4.920 50 0 HJAARM O=C([O-])C[C@@H](Cc1cccc(F)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002389807 557343405 /nfs/dbraw/zinc/34/34/05/557343405.db2.gz ZZCLRFMQVCVNGD-GOSISDBHSA-N -1 0 419.452 4.750 50 0 HJAARM O=C(Nc1ccc(F)c(F)c1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000003105506 557447300 /nfs/dbraw/zinc/44/73/00/557447300.db2.gz NYSVRUWYFNUZGE-UHFFFAOYSA-N -1 0 422.840 4.671 50 0 HJAARM COC(=O)c1c(-c2cc(C)ccc2C)csc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000003864122 557501574 /nfs/dbraw/zinc/50/15/74/557501574.db2.gz WJGWGNCAMCGDBK-LSDHHAIUSA-N -1 0 415.511 4.648 50 0 HJAARM CCc1cc2c(cc1OCC(=O)[O-])oc(C(F)(F)F)c(-c1ccc(F)cc1)c2=O ZINC000004111494 557514712 /nfs/dbraw/zinc/51/47/12/557514712.db2.gz DQPCWQPUOVEKFD-UHFFFAOYSA-N -1 0 410.319 4.644 50 0 HJAARM CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000004521502 557563288 /nfs/dbraw/zinc/56/32/88/557563288.db2.gz GBROUWPNYVBLFO-QHCPKHFHSA-N -1 0 401.462 4.563 50 0 HJAARM C[C@H]1CCCCN1C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000005681213 557668551 /nfs/dbraw/zinc/66/85/51/557668551.db2.gz CHHFDDRACRCMEZ-KRWDZBQOSA-N -1 0 408.523 4.655 50 0 HJAARM COC(=O)CSC([O-])=NC(=O)c1ccccc1Oc1ccc(Cl)cc1Cl ZINC000008616638 557797155 /nfs/dbraw/zinc/79/71/55/557797155.db2.gz LDIOTNHXYIUNQE-UHFFFAOYSA-N -1 0 414.266 4.542 50 0 HJAARM Cc1ccc(C(=O)NC([N-]c2ccc(Cl)cn2)(C(F)(F)F)C(F)(F)F)cc1 ZINC000019944246 558314584 /nfs/dbraw/zinc/31/45/84/558314584.db2.gz IBABFVRHIDMPIV-UHFFFAOYSA-N -1 0 411.733 4.706 50 0 HJAARM CCOc1ccc(-c2c(C)nn3c2ncc(C(=O)[O-])c3-c2ccccc2)cc1OCC ZINC000012412235 558401238 /nfs/dbraw/zinc/40/12/38/558401238.db2.gz OZHWLDOGFWARKP-UHFFFAOYSA-N -1 0 417.465 4.867 50 0 HJAARM Cc1sc2ncnc(SCc3cc(=O)[nH]c4sc(C(=O)[O-])c(C)c43)c2c1C ZINC000012788802 558464288 /nfs/dbraw/zinc/46/42/88/558464288.db2.gz JSQFGWHQYRKZQP-UHFFFAOYSA-N -1 0 417.537 4.510 50 0 HJAARM Cc1cccc2cc([C@@H]3CC(c4ccccc4)=NN3C(=O)CCC(=O)[O-])c(Cl)nc12 ZINC000013016276 558504059 /nfs/dbraw/zinc/50/40/59/558504059.db2.gz KPOWSINUMDIHQN-IBGZPJMESA-N -1 0 421.884 4.739 50 0 HJAARM COc1ccccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000013057031 558508915 /nfs/dbraw/zinc/50/89/15/558508915.db2.gz RDKKXVVHNCMPSS-UHFFFAOYSA-N -1 0 414.449 4.505 50 0 HJAARM O=C([O-])C[C@H](NS(=O)(=O)c1ccc(C2CCCCC2)cc1)c1ccc(Cl)cc1 ZINC000013265162 558528210 /nfs/dbraw/zinc/52/82/10/558528210.db2.gz VEFMXTRPSDXTMK-FQEVSTJZSA-N -1 0 421.946 4.882 50 0 HJAARM O=C([O-])CCC(=O)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 ZINC000013302739 558529716 /nfs/dbraw/zinc/52/97/16/558529716.db2.gz UIZUUVXQIBFHTF-CDEHNYETSA-N -1 0 424.447 4.953 50 0 HJAARM O=C(Nc1ccccc1)Nc1cccc([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000023080909 558533944 /nfs/dbraw/zinc/53/39/44/558533944.db2.gz QZFIBSKBKQLKBI-UHFFFAOYSA-N -1 0 401.875 4.785 50 0 HJAARM O=C1N=C(SCc2ccccc2)N=C([O-])C1C(c1ccccc1)c1ccccc1 ZINC000013764518 558591031 /nfs/dbraw/zinc/59/10/31/558591031.db2.gz HHCBYHPBZGSTDQ-UHFFFAOYSA-N -1 0 400.503 4.948 50 0 HJAARM COc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1COc1ccc(-c2ccccc2)cc1 ZINC000013961504 558609375 /nfs/dbraw/zinc/60/93/75/558609375.db2.gz KZNCPDBPSXLOOG-JTHBVZDNSA-N -1 0 421.518 4.729 50 0 HJAARM O=C(c1c([O-])cc(F)cc1F)N1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000072311484 558784781 /nfs/dbraw/zinc/78/47/81/558784781.db2.gz CBCVHAVPJGRMLO-INIZCTEOSA-N -1 0 403.816 4.691 50 0 HJAARM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cnn(Cc3ccc(Cl)cc3)c2)cc1 ZINC000017082777 558815082 /nfs/dbraw/zinc/81/50/82/558815082.db2.gz ADFUWVNUKKVHGO-OAHLLOKOSA-N -1 0 403.935 4.899 50 0 HJAARM CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C[C@H](C)CC(=O)[O-])c2C(=O)OC)C1 ZINC000017088321 558817172 /nfs/dbraw/zinc/81/71/72/558817172.db2.gz OCYUETVFUZNGMC-QWHCGFSZSA-N -1 0 409.548 4.515 50 0 HJAARM Cc1ccc(NC(=O)c2c(NC(=O)C[C@@H](C)CC(=O)[O-])sc3c2CCCC3)cc1 ZINC000017090005 558818525 /nfs/dbraw/zinc/81/85/25/558818525.db2.gz HJBOULQXTXZTEH-CQSZACIVSA-N -1 0 414.527 4.627 50 0 HJAARM COC(=O)c1c(NC(=S)Nc2cc(Cl)c([O-])c(Cl)c2)sc2c1CCC2 ZINC000017090996 558819553 /nfs/dbraw/zinc/81/95/53/558819553.db2.gz JWMRMYMVPTWAJW-UHFFFAOYSA-N -1 0 417.339 4.845 50 0 HJAARM CCc1c(C)sc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1C(=O)NC1CCCCC1 ZINC000017092393 558820865 /nfs/dbraw/zinc/82/08/65/558820865.db2.gz DUDOEVGSSAZMIO-SJORKVTESA-N -1 0 420.575 4.511 50 0 HJAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000033169046 558898832 /nfs/dbraw/zinc/89/88/32/558898832.db2.gz UNPYGNKPVDSSPZ-UHFFFAOYSA-N -1 0 418.931 4.757 50 0 HJAARM CCc1ccc([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)cs2)cc1 ZINC000033173694 558901865 /nfs/dbraw/zinc/90/18/65/558901865.db2.gz YOBYOBQVCNHLDA-UHFFFAOYSA-N -1 0 402.419 4.785 50 0 HJAARM CCCCN(CC)c1ccc(NS(=O)(=O)c2cc(C)c(C)cc2C)cc1C(=O)[O-] ZINC000033253573 558921677 /nfs/dbraw/zinc/92/16/77/558921677.db2.gz XEVCGDULROJSJM-UHFFFAOYSA-N -1 0 418.559 4.737 50 0 HJAARM Cc1cc(Br)c([O-])c(C(=O)N(C)Cc2ccccc2OC(F)(F)F)c1 ZINC000058391260 558923370 /nfs/dbraw/zinc/92/33/70/558923370.db2.gz OEVGKIAHLLPEGM-UHFFFAOYSA-N -1 0 418.209 4.634 50 0 HJAARM Cc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)[N-]c1ccccc1C ZINC000064450474 558963603 /nfs/dbraw/zinc/96/36/03/558963603.db2.gz IPBCNWGWSRRECA-UHFFFAOYSA-N -1 0 411.508 4.883 50 0 HJAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1c(C)sc(C)c1-c1cc(C)[nH]n1 ZINC000033306706 559051805 /nfs/dbraw/zinc/05/18/05/559051805.db2.gz AKNHFKKNSROTGH-UHFFFAOYSA-N -1 0 411.936 4.526 50 0 HJAARM O=C([O-])[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1C1CCCC1 ZINC000725242244 559069644 /nfs/dbraw/zinc/06/96/44/559069644.db2.gz PELSKMURSVIEBC-FCHUYYIVSA-N -1 0 405.494 4.758 50 0 HJAARM CC(C)CN(CC(C)C)C(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)[O-] ZINC000004952112 559216002 /nfs/dbraw/zinc/21/60/02/559216002.db2.gz WEHGXEFRQQZVBQ-MXXWWZHRSA-N -1 0 405.538 4.735 50 0 HJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(C)cc3nc2NCc2ccccc2)cc1 ZINC000005392719 560583041 /nfs/dbraw/zinc/58/30/41/560583041.db2.gz VASVGQQMFVPAPI-UHFFFAOYSA-N -1 0 418.522 4.660 50 0 HJAARM C[C@@H](Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000005557647 560614123 /nfs/dbraw/zinc/61/41/23/560614123.db2.gz MGDNWBHLYUSOKL-CQSZACIVSA-N -1 0 410.524 4.665 50 0 HJAARM O=S(=O)([N-]c1nc2ccc(Cl)cc2s1)c1ccc(Br)cc1 ZINC000000676989 560725048 /nfs/dbraw/zinc/72/50/48/560725048.db2.gz UMCQLLMJTTXCBK-UHFFFAOYSA-N -1 0 403.710 4.513 50 0 HJAARM O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000018066047 560774483 /nfs/dbraw/zinc/77/44/83/560774483.db2.gz UTTZDGLCMGGDLF-QHAWAJNXSA-N -1 0 422.843 4.530 50 0 HJAARM Cc1ccc(NC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(C)c(C)c5)nc-4c3c2)cc1 ZINC000101827928 560802677 /nfs/dbraw/zinc/80/26/77/560802677.db2.gz SKAYFXQXJJPOAJ-UHFFFAOYSA-N -1 0 422.488 4.996 50 0 HJAARM Cc1nn(-c2ccc(Cl)cc2)c2c1C(=C([O-])c1cc3ccccc3o1)CC(=O)N2 ZINC000046057756 568426236 /nfs/dbraw/zinc/42/62/36/568426236.db2.gz URRHWRGLPMTCDP-INIZCTEOSA-N -1 0 405.841 4.889 50 0 HJAARM Cc1cc(NC(=O)c2ccc(Cl)cc2)c(C)c(S(=O)(=O)c2ccccc2)c1[O-] ZINC000000719263 568465937 /nfs/dbraw/zinc/46/59/37/568465937.db2.gz JIRAOHYEGCNTIQ-UHFFFAOYSA-N -1 0 415.898 4.748 50 0 HJAARM Cc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(C(=O)[O-])cc2)c1 ZINC000020619381 568638385 /nfs/dbraw/zinc/63/83/85/568638385.db2.gz RONBCQQOXILCPG-RWEWTDSWSA-N -1 0 414.417 4.630 50 0 HJAARM COC(=O)C[C@H](c1cccs1)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096114518 568694259 /nfs/dbraw/zinc/69/42/59/568694259.db2.gz ODYFTNZMXYODHJ-MRXNPFEDSA-N -1 0 422.458 4.628 50 0 biogenic HJAARM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)o1 ZINC000096323188 568731654 /nfs/dbraw/zinc/73/16/54/568731654.db2.gz UCVQCHINPIXKKN-UHFFFAOYSA-N -1 0 406.769 4.716 50 0 HJAARM Cc1cc(-c2nnc([N-]c3ccn(Cc4c(Cl)cccc4Cl)n3)s2)nn1C ZINC000002731526 568804953 /nfs/dbraw/zinc/80/49/53/568804953.db2.gz CKNAUHDLLYTKLK-UHFFFAOYSA-N -1 0 420.329 4.542 50 0 HJAARM C[C@@H]1CCc2c(sc3nc(-c4ccc(-c5ccc(C(=O)[O-])cc5)o4)[nH]c(=O)c23)C1 ZINC000005881024 568827887 /nfs/dbraw/zinc/82/78/87/568827887.db2.gz NVSONUVLNXVNFR-LLVKDONJSA-N -1 0 406.463 4.735 50 0 HJAARM O=C([O-])C1(CC(=O)Nc2c(-c3ccc(F)cc3)nc3sccn32)CCCCC1 ZINC000012556546 568855800 /nfs/dbraw/zinc/85/58/00/568855800.db2.gz LGLKIXMIBXPMHE-UHFFFAOYSA-N -1 0 401.463 4.566 50 0 HJAARM O=C([N-]n1c(=O)c2c3c(sc2nc1-c1cccs1)CCCC3)c1cccs1 ZINC000003226990 568864193 /nfs/dbraw/zinc/86/41/93/568864193.db2.gz SKTUXWLFBGKKTN-UHFFFAOYSA-N -1 0 413.549 4.511 50 0 HJAARM O=C([O-])c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC000003243244 568866758 /nfs/dbraw/zinc/86/67/58/568866758.db2.gz HCDCRPHCBMMLOZ-UHFFFAOYSA-N -1 0 401.397 4.629 50 0 HJAARM COc1ccc([C@H]2CC(=O)Oc3ccc(C(=O)c4ccc(Cl)cc4)c([O-])c32)cc1 ZINC000263584891 568878347 /nfs/dbraw/zinc/87/83/47/568878347.db2.gz BUZBMPYMFMGKAW-GOSISDBHSA-N -1 0 408.837 4.726 50 0 biogenic HJAARM OC(=CSC(=S)[N-]Nc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 ZINC000001397348 568925641 /nfs/dbraw/zinc/92/56/41/568925641.db2.gz IGSLCUVYKWBGJF-UHFFFAOYSA-N -1 0 405.854 4.571 50 0 HJAARM O=C(Nc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1)c1ccco1 ZINC000012738913 568926444 /nfs/dbraw/zinc/92/64/44/568926444.db2.gz SATMIMJNXJJACC-UHFFFAOYSA-N -1 0 411.266 4.640 50 0 HJAARM O=C1CCCN1c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1Cl ZINC000012759995 568943993 /nfs/dbraw/zinc/94/39/93/568943993.db2.gz CCXDYXCFDAGVLZ-UHFFFAOYSA-N -1 0 419.717 4.574 50 0 HJAARM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)c1 ZINC000085664717 569006634 /nfs/dbraw/zinc/00/66/34/569006634.db2.gz SXHRCFOJIXBRSN-UHFFFAOYSA-N -1 0 401.435 4.575 50 0 HJAARM Cc1cc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2cccs2)c2ccccc2n1 ZINC000006141949 569014297 /nfs/dbraw/zinc/01/42/97/569014297.db2.gz IDTGLYVWPPIQAJ-UHFFFAOYSA-N -1 0 423.519 4.658 50 0 HJAARM O=C(CC1CCCC1)Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000015862098 569015690 /nfs/dbraw/zinc/01/56/90/569015690.db2.gz LCDCIPAAAFLFIE-UHFFFAOYSA-N -1 0 415.540 4.616 50 0 HJAARM O=C(Nc1ccccc1Cl)c1cc(Br)cc(Br)c1[O-] ZINC000001606577 569031079 /nfs/dbraw/zinc/03/10/79/569031079.db2.gz FHSUQICSJNEUKE-UHFFFAOYSA-N -1 0 405.473 4.823 50 0 HJAARM CCCC[C@H](CC)[C@@H]1[C@@H]2C(=O)N(c3ccc(C)cc3)C([O-])=C2ON1c1ccccc1 ZINC000226917353 569040004 /nfs/dbraw/zinc/04/00/04/569040004.db2.gz NJBXYNKCLWDUAR-XSEFMFLKSA-N -1 0 406.526 4.890 50 0 HJAARM CCCC[C@H](CC)[C@@H]1[C@@H]2C(=O)N(c3cccc(C)c3)C([O-])=C2ON1c1ccccc1 ZINC000245311685 569055754 /nfs/dbraw/zinc/05/57/54/569055754.db2.gz QGBCDYBRZMPPGI-IITNATTFSA-N -1 0 406.526 4.890 50 0 HJAARM COc1cccc([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)sc2C)c1 ZINC000033299228 569059386 /nfs/dbraw/zinc/05/93/86/569059386.db2.gz MLGQSFHFGUTKAI-UHFFFAOYSA-N -1 0 418.418 4.540 50 0 HJAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2ccc(F)c(F)c2)CC(=O)N3)cc1 ZINC000064797251 569096454 /nfs/dbraw/zinc/09/64/54/569096454.db2.gz BZLASNZBZULLTK-ZDUSSCGKSA-N -1 0 415.417 4.874 50 0 HJAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2cc(F)ccc2F)CC(=O)N3)cc1 ZINC000064797005 569096804 /nfs/dbraw/zinc/09/68/04/569096804.db2.gz TXQUELJWAKYYGE-CQSZACIVSA-N -1 0 415.417 4.874 50 0 HJAARM CC(C)c1ccc(-n2ncc(C(=O)[O-])c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000006737440 569104987 /nfs/dbraw/zinc/10/49/87/569104987.db2.gz BYYNABNKRAUSHX-UHFFFAOYSA-N -1 0 413.518 4.808 50 0 HJAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)[O-])occ3-c1ccc2c(c1)OCCCO2 ZINC000036370060 569153780 /nfs/dbraw/zinc/15/37/80/569153780.db2.gz CTRBYJSODREWGW-UHFFFAOYSA-N -1 0 420.417 4.693 50 0 biogenic HJAARM O=S(=O)([N-]c1ccccc1F)c1cc(-c2nc(-c3cccc(F)c3)no2)cs1 ZINC000065098054 569176941 /nfs/dbraw/zinc/17/69/41/569176941.db2.gz QAIUJVLYIRQTQN-UHFFFAOYSA-N -1 0 419.434 4.544 50 0 HJAARM CCCCc1ccc(NC(=O)c2cnc3n(-c4ccccc4)[n-]c(C)c-3c2=O)cc1 ZINC000007424019 569237982 /nfs/dbraw/zinc/23/79/82/569237982.db2.gz OGHVRLCNLARPKX-UHFFFAOYSA-N -1 0 400.482 4.617 50 0 HJAARM COc1cccc([C@@H]2Nc3c(C(=O)[O-])cccc3[C@@H]3c4ccccc4C[C@@H]32)c1OC ZINC000013479991 569255621 /nfs/dbraw/zinc/25/56/21/569255621.db2.gz REQDACGXRQSKGJ-RRPUWOKSSA-N -1 0 401.462 4.873 50 0 HJAARM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000090677503 569277947 /nfs/dbraw/zinc/27/79/47/569277947.db2.gz QFVKHZGPQOFFBR-KRWDZBQOSA-N -1 0 401.462 4.911 50 0 HJAARM CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccccc1C(=O)[O-] ZINC000002281347 569363939 /nfs/dbraw/zinc/36/39/39/569363939.db2.gz FRPBYTAGJSCLMF-UHFFFAOYSA-N -1 0 409.463 4.851 50 0 HJAARM O=C1C[C@@H](c2cccnc2)c2c(cc([O-])c3c(=O)c(-c4ccc(Cl)cc4)coc32)O1 ZINC000253413853 569366844 /nfs/dbraw/zinc/36/68/44/569366844.db2.gz VVWFFNXZRDYJPX-HNNXBMFYSA-N -1 0 419.820 4.655 50 0 biogenic HJAARM CCc1c([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)onc1C(F)(F)F ZINC000253429618 569368586 /nfs/dbraw/zinc/36/85/86/569368586.db2.gz UALAJWYXDPLBSA-UHFFFAOYSA-N -1 0 420.356 4.669 50 0 HJAARM COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000009002251 571209824 /nfs/dbraw/zinc/20/98/24/571209824.db2.gz RSIWVNQKVWRUOH-UHFFFAOYSA-N -1 0 401.509 4.619 50 0 HJAARM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2nc3ccccc3s2)c1 ZINC000032899934 522251546 /nfs/dbraw/zinc/25/15/46/522251546.db2.gz WBDUKJOSZSMAHM-UHFFFAOYSA-N -1 0 424.503 4.551 50 0 HJAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@]21C(=O)Nc2c1cccc2Cl ZINC000032072486 526411648 /nfs/dbraw/zinc/41/16/48/526411648.db2.gz MRWZLUVIBIBQGC-OAQYLSRUSA-N -1 0 424.865 4.997 50 0 HJAARM Cc1nc2sc([C@H](c3ccccc3Cl)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000022627435 557112914 /nfs/dbraw/zinc/11/29/14/557112914.db2.gz QNGNXPGDEMBUJW-SFHVURJKSA-N -1 0 410.930 4.606 50 0 HJAARM COC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)c1ccccc1C(=O)[O-] ZINC000001034313 557149441 /nfs/dbraw/zinc/14/94/41/557149441.db2.gz CDUNFVWZZFRDED-UHFFFAOYSA-N -1 0 415.854 4.806 50 0 HJAARM Cc1ccccc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000001118449 557189026 /nfs/dbraw/zinc/18/90/26/557189026.db2.gz HUNHXNDXXGBEAL-UHFFFAOYSA-N -1 0 417.490 4.596 50 0 HJAARM CCc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000002384514 557342671 /nfs/dbraw/zinc/34/26/71/557342671.db2.gz AWWLPTYBAKFJLK-UHFFFAOYSA-N -1 0 422.485 4.876 50 0 HJAARM O=C([O-])C[C@H]1Cc2ccccc2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002385959 557342914 /nfs/dbraw/zinc/34/29/14/557342914.db2.gz ZYNHEOMLCMDTDW-LJQANCHMSA-N -1 0 413.473 4.837 50 0 HJAARM O=C([O-])[C@H](Cc1ccccc1Cl)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002569515 557357123 /nfs/dbraw/zinc/35/71/23/557357123.db2.gz RNNKPNPLIMFSDY-QFIPXVFZSA-N -1 0 421.880 4.874 50 0 HJAARM O=C([O-])C[C@@H](Cc1cccs1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002575668 557357484 /nfs/dbraw/zinc/35/74/84/557357484.db2.gz BESSJJJDKGERSD-OAHLLOKOSA-N -1 0 407.491 4.673 50 0 HJAARM COc1ccccc1[C@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002585867 557358610 /nfs/dbraw/zinc/35/86/10/557358610.db2.gz JMHQFXYSVGDAGJ-QFIPXVFZSA-N -1 0 417.461 4.750 50 0 HJAARM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccc4cccnc43)cc2)cc1 ZINC000003635583 557495646 /nfs/dbraw/zinc/49/56/46/557495646.db2.gz ZVUGFODEAXZKBX-UHFFFAOYSA-N -1 0 417.490 4.596 50 0 HJAARM CCCOc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)[O-])c2)c1 ZINC000003669111 557497846 /nfs/dbraw/zinc/49/78/46/557497846.db2.gz QKCXVTGIYZEMTI-UHFFFAOYSA-N -1 0 418.449 4.678 50 0 HJAARM O=C([O-])[C@@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCc2ccccc2C1 ZINC000004262340 557532911 /nfs/dbraw/zinc/53/29/11/557532911.db2.gz PRKGWEACQDXDDT-AREMUKBSSA-N -1 0 413.473 4.537 50 0 HJAARM CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000004756982 557594159 /nfs/dbraw/zinc/59/41/59/557594159.db2.gz HDQFLXPUPSXBTB-UHFFFAOYSA-N -1 0 412.536 4.603 50 0 HJAARM CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1ccc(C(=O)[O-])cc1 ZINC000005520825 557659618 /nfs/dbraw/zinc/65/96/18/557659618.db2.gz RMDNQSAIPZEXHJ-UHFFFAOYSA-N -1 0 404.344 4.872 50 0 HJAARM CCOc1ccc2nc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)sc2c1 ZINC000005923563 557681148 /nfs/dbraw/zinc/68/11/48/557681148.db2.gz XNDNWMGZUJPWPS-UHFFFAOYSA-N -1 0 403.312 4.803 50 0 HJAARM COc1ccc2cc(C=C(Cl)c3nc4cc(C(=O)[O-])ccc4c(=O)[nH]3)ccc2c1 ZINC000007502958 557744076 /nfs/dbraw/zinc/74/40/76/557744076.db2.gz VDMJXPXTGZMDID-NVMNQCDNSA-N -1 0 406.825 4.520 50 0 HJAARM CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])sc(C)c1-c1ccccc1 ZINC000002761552 557755555 /nfs/dbraw/zinc/75/55/55/557755555.db2.gz SFCDLQGMQIBEKE-HZPDHXFCSA-N -1 0 415.511 4.730 50 0 HJAARM O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)NCc1ccccc1Cl ZINC000002970330 557775165 /nfs/dbraw/zinc/77/51/65/557775165.db2.gz DBXSLBYFVWCOHM-UHFFFAOYSA-N -1 0 415.946 4.589 50 0 HJAARM CCc1[n-]n2c(nc(C)c(Cc3ccc(Br)cc3)c2=O)c1-c1ccccc1 ZINC000009050470 557820593 /nfs/dbraw/zinc/82/05/93/557820593.db2.gz MYUMPIFACYRSKL-UHFFFAOYSA-N -1 0 422.326 4.914 50 0 HJAARM CCc1nc2sc([C@H](c3cccc(C(F)(F)F)c3)N3CCCCC3)c([O-])n2n1 ZINC000022853104 557839957 /nfs/dbraw/zinc/83/99/57/557839957.db2.gz BOSWVKSOYRPYLT-HNNXBMFYSA-N -1 0 410.465 4.653 50 0 HJAARM CCc1nc2sc([C@H](c3ccc(Cl)c(Cl)c3)N3CCCCC3)c([O-])n2n1 ZINC000022853134 557839979 /nfs/dbraw/zinc/83/99/79/557839979.db2.gz JWNFQQOTXICVQP-HNNXBMFYSA-N -1 0 411.358 4.941 50 0 HJAARM O=C([O-])C1CCC(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)CC1 ZINC000012343444 558486188 /nfs/dbraw/zinc/48/61/88/558486188.db2.gz IJWOSXHQKDKDNC-UHFFFAOYSA-N -1 0 411.068 4.540 50 0 HJAARM CSc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000013676977 558564951 /nfs/dbraw/zinc/56/49/51/558564951.db2.gz XZJKYMCTDLOGKZ-UHFFFAOYSA-N -1 0 404.538 4.523 50 0 HJAARM COc1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)cc1COc1ccc(-c2ccccc2)cc1 ZINC000013961503 558609359 /nfs/dbraw/zinc/60/93/59/558609359.db2.gz KZNCPDBPSXLOOG-GGAORHGYSA-N -1 0 421.518 4.729 50 0 HJAARM C[C@@H]1c2ccc(C(=O)[O-])n2CCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000400318906 558683730 /nfs/dbraw/zinc/68/37/30/558683730.db2.gz ALPWSQAKAKHDNI-OAHLLOKOSA-N -1 0 402.450 4.512 50 0 HJAARM CC(C)c1cc(C(=O)Nc2ccccc2)c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])s1 ZINC000017089982 558818402 /nfs/dbraw/zinc/81/84/02/558818402.db2.gz MXJYVFCKFMUNLY-HOTGVXAUSA-N -1 0 414.527 4.953 50 0 HJAARM CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=O)CCC(=O)[O-] ZINC000038990716 558819797 /nfs/dbraw/zinc/81/97/97/558819797.db2.gz SAIPSZMZTANCFE-SFHVURJKSA-N -1 0 409.404 4.539 50 0 in-vitro HJAARM O=C([O-])C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(OC2CCCC2)cc1 ZINC000004653998 558869358 /nfs/dbraw/zinc/86/93/58/558869358.db2.gz CKGFSJKOUFSHNS-DRQCUQGNSA-N -1 0 411.542 4.856 50 0 HJAARM O=C([O-])c1ccccc1-c1ccc(C(=O)N2CCC[C@@H](c3ccccc3)CC2)cn1 ZINC000067673120 558991042 /nfs/dbraw/zinc/99/10/42/558991042.db2.gz WYBZSALMYPKMNI-LJQANCHMSA-N -1 0 400.478 4.857 50 0 HJAARM Cc1ccc(-c2noc(-c3ccccc3S(=O)(=O)[N-]c3ccc(F)cc3)n2)cc1 ZINC000033307042 559051929 /nfs/dbraw/zinc/05/19/29/559051929.db2.gz OKAQELSQWJTJGE-UHFFFAOYSA-N -1 0 409.442 4.652 50 0 HJAARM CSc1nc(Oc2ccc(C(C)C)cc2)cc(-n2[n-]c(=O)c3ccccc3c2=O)n1 ZINC000085425717 559056940 /nfs/dbraw/zinc/05/69/40/559056940.db2.gz RTDMTZWSDCDHRK-UHFFFAOYSA-N -1 0 420.494 4.519 50 0 HJAARM COc1cc(Cl)ccc1NC(=O)c1c([O-])c2ccccc2n(CCC(C)C)c1=O ZINC000100490741 559135749 /nfs/dbraw/zinc/13/57/49/559135749.db2.gz JYLYCHFQDDDVTM-UHFFFAOYSA-N -1 0 414.889 4.668 50 0 HJAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2nc3ccc(C)cc3s2)c1=O ZINC000100658435 559137484 /nfs/dbraw/zinc/13/74/84/559137484.db2.gz YJZJGJQGDXXPQN-UHFFFAOYSA-N -1 0 407.495 4.678 50 0 HJAARM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)cc1OC ZINC000014412547 559165736 /nfs/dbraw/zinc/16/57/36/559165736.db2.gz BMGNCQAARDDEBP-UHFFFAOYSA-N -1 0 419.886 4.950 50 0 HJAARM O=C([O-])[C@@H]1ON(c2ccccc2)[C@H](c2ccccc2)[C@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000033821805 559248194 /nfs/dbraw/zinc/24/81/94/559248194.db2.gz FMFPITJUNAVUGJ-NJDAHSKKSA-N -1 0 422.868 4.541 50 0 HJAARM CCOc1ccc(S(=O)(=O)[N-]c2c(-c3cccs3)nc3cc(C)ccn32)cc1 ZINC000005171092 559287726 /nfs/dbraw/zinc/28/77/26/559287726.db2.gz AUELALTVHSRJHY-UHFFFAOYSA-N -1 0 413.524 4.571 50 0 HJAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1cccc(Cl)c1)c1cccs1 ZINC000017206978 560704001 /nfs/dbraw/zinc/70/40/01/560704001.db2.gz WHXICSFTOORGNC-UHFFFAOYSA-N -1 0 416.915 4.889 50 0 HJAARM COc1ccc([C@@H]2CC(=O)C3C(=Nc4nonc4N[C@H]3c3ccccc3F)C2)cc1 ZINC000102743240 560823803 /nfs/dbraw/zinc/82/38/03/560823803.db2.gz XFMNQLSYTOGMIV-RBZFPXEDSA-N -1 0 406.417 4.846 50 0 HJAARM C[C@H]1CCCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2F)C1 ZINC000102894309 560833122 /nfs/dbraw/zinc/83/31/22/560833122.db2.gz XNDPENLGZFYLEA-SUMWQHHRSA-N -1 0 412.490 4.717 50 0 HJAARM C[C@H]1CCCN([C@H](c2cccs2)c2sc3nc(-c4ccco4)nn3c2[O-])C1 ZINC000102894519 560833283 /nfs/dbraw/zinc/83/32/83/560833283.db2.gz RMHJLCAYZVGRSG-SWLSCSKDSA-N -1 0 400.529 4.639 50 0 HJAARM O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)Nc1ccc(C(=O)[O-])cc1 ZINC000003243211 560886795 /nfs/dbraw/zinc/88/67/95/560886795.db2.gz XLCROLXGEYCWIP-DTQAZKPQSA-N -1 0 409.445 4.889 50 0 HJAARM Cc1nn(-c2ccc(Cl)cc2)c2c1C(=C([O-])c1cc3ccccc3o1)CC(=O)N2 ZINC000046057759 568426246 /nfs/dbraw/zinc/42/62/46/568426246.db2.gz URRHWRGLPMTCDP-MRXNPFEDSA-N -1 0 405.841 4.889 50 0 HJAARM COc1ccc2o/c(=N\c3ccc(C(=O)[O-])cc3)c(C(=O)Nc3ccccc3)cc2c1 ZINC000020616642 568638204 /nfs/dbraw/zinc/63/82/04/568638204.db2.gz VMLOKEKJWATPTR-RWEWTDSWSA-N -1 0 414.417 4.624 50 0 HJAARM COC(=O)C[C@H](c1ccsc1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096114001 568693591 /nfs/dbraw/zinc/69/35/91/568693591.db2.gz PWSHPGSHAZDNME-OAHLLOKOSA-N -1 0 422.458 4.628 50 0 biogenic HJAARM O=c1oc2c(cc([N-]S(=O)(=O)c3cccc4ccccc43)c3ccccc23)s1 ZINC000000950308 568756908 /nfs/dbraw/zinc/75/69/08/568756908.db2.gz PLHPUIGOCUOCAC-UHFFFAOYSA-N -1 0 407.472 4.962 50 0 HJAARM O=C([O-])CS[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 ZINC000002557509 568783311 /nfs/dbraw/zinc/78/33/11/568783311.db2.gz UFARTXRKGBIWNB-HNNXBMFYSA-N -1 0 403.809 4.856 50 0 HJAARM Cc1cc(-c2nnc([N-]c3ccn(Cc4c(Cl)cccc4Cl)n3)s2)n(C)n1 ZINC000002730670 568804564 /nfs/dbraw/zinc/80/45/64/568804564.db2.gz WEWJUDPNCPZWOX-UHFFFAOYSA-N -1 0 420.329 4.542 50 0 HJAARM O=C(Nc1ccc(F)cc1)C1CCC(Cn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000002971988 568831962 /nfs/dbraw/zinc/83/19/62/568831962.db2.gz VKRGOOYOPWFVDE-UHFFFAOYSA-N -1 0 411.502 4.643 50 0 HJAARM O=C(Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1F)c1ccccc1 ZINC000031651454 568837323 /nfs/dbraw/zinc/83/73/23/568837323.db2.gz LVKSHUHNGGTLCE-UHFFFAOYSA-N -1 0 404.850 4.532 50 0 HJAARM CCCCN(C)C(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1Cl)c2=O ZINC000012527911 568843769 /nfs/dbraw/zinc/84/37/69/568843769.db2.gz HHDKAEJSZQUKCH-UHFFFAOYSA-N -1 0 415.946 4.633 50 0 HJAARM O=C([O-])COc1ccc2c(=O)c(Oc3ccc(Cl)cc3)c(C(F)(F)F)oc2c1 ZINC000003186764 568860423 /nfs/dbraw/zinc/86/04/23/568860423.db2.gz OTFQWFWIDRQVBA-UHFFFAOYSA-N -1 0 414.719 4.721 50 0 HJAARM CCCCC(=O)Nc1ccc2nc([N-]S(=O)(=O)c3ccc(C)cc3)sc2c1 ZINC000015729313 568979397 /nfs/dbraw/zinc/97/93/97/568979397.db2.gz MQKKPYPKOKDAKS-UHFFFAOYSA-N -1 0 403.529 4.534 50 0 HJAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)cc1Cl ZINC000085664693 569006568 /nfs/dbraw/zinc/00/65/68/569006568.db2.gz WIFOUKVMNNWBDV-UHFFFAOYSA-N -1 0 421.853 4.920 50 0 HJAARM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1 ZINC000085664620 569006590 /nfs/dbraw/zinc/00/65/90/569006590.db2.gz IDSQERRMGOZYME-UHFFFAOYSA-N -1 0 421.853 4.920 50 0 HJAARM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1 ZINC000085664631 569006643 /nfs/dbraw/zinc/00/66/43/569006643.db2.gz SSVGGBNTGGIQPU-UHFFFAOYSA-N -1 0 401.435 4.575 50 0 HJAARM O=C([O-])c1cc(NC(=O)c2ccccc2F)ccc1N1CC[C@@H](c2ccccc2)C1 ZINC000035510996 569043042 /nfs/dbraw/zinc/04/30/42/569043042.db2.gz KZDPXOHCQQFDQW-QGZVFWFLSA-N -1 0 404.441 4.770 50 0 HJAARM O=C([O-])c1cc(NC(=O)c2ccc(F)cc2)ccc1N1CC[C@@H](c2ccccc2)C1 ZINC000035510994 569043075 /nfs/dbraw/zinc/04/30/75/569043075.db2.gz VDLIJHRJMOCONA-GOSISDBHSA-N -1 0 404.441 4.770 50 0 HJAARM O=S(=O)([N-]c1ccc(Cl)cc1F)c1cc(-c2noc(C3CCC3)n2)cs1 ZINC000035557273 569044760 /nfs/dbraw/zinc/04/47/60/569044760.db2.gz YUFWWOUFHCRBFL-UHFFFAOYSA-N -1 0 413.883 4.659 50 0 HJAARM CCCC[C@H](CC)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000245329068 569055979 /nfs/dbraw/zinc/05/59/79/569055979.db2.gz XMMKDNVRLXROGB-ZIPUMODLSA-N -1 0 410.489 4.721 50 0 HJAARM Cc1[n-]n(-c2ccccc2)c(=O)c1SC(F)(F)[C@](F)(Cl)OC(F)(F)F ZINC000001819658 569056200 /nfs/dbraw/zinc/05/62/00/569056200.db2.gz WUNBXKBWLNWSOT-LLVKDONJSA-N -1 0 406.735 4.557 50 0 HJAARM Cc1nn(C[C@@H](C)c2n[n-]c(=S)n2-c2ccc(C)cc2C)c(C)c1Br ZINC000006626966 569075994 /nfs/dbraw/zinc/07/59/94/569075994.db2.gz ROYGYEYQVFUMTL-GFCCVEGCSA-N -1 0 420.380 4.926 50 0 HJAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2ccc(F)cc2F)CC(=O)N3)cc1 ZINC000064796994 569096745 /nfs/dbraw/zinc/09/67/45/569096745.db2.gz UONWKSOIFWHBOH-AWEZNQCLSA-N -1 0 415.417 4.874 50 0 HJAARM CCOc1ccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(F)cc3)n2)cc1OC ZINC000006749003 569108850 /nfs/dbraw/zinc/10/88/50/569108850.db2.gz QMRPWYGMERDTDH-UHFFFAOYSA-N -1 0 407.401 4.537 50 0 HJAARM O=C(Cc1ccc(S(=O)(=O)[N-]c2ccccc2)s1)Nc1ccc(F)cc1Cl ZINC000064919899 569121043 /nfs/dbraw/zinc/12/10/43/569121043.db2.gz LPGDSPCXNBKABU-UHFFFAOYSA-N -1 0 424.906 4.523 50 0 HJAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)s1 ZINC000065004155 569152346 /nfs/dbraw/zinc/15/23/46/569152346.db2.gz GUGPYRDWBNMPAF-UHFFFAOYSA-N -1 0 410.904 4.743 50 0 HJAARM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)c1 ZINC000065004396 569152440 /nfs/dbraw/zinc/15/24/40/569152440.db2.gz LBXFFAMXHXCSCF-UHFFFAOYSA-N -1 0 402.497 4.674 50 0 HJAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(-c2cnc(C3CCC3)o2)s1 ZINC000065004507 569152528 /nfs/dbraw/zinc/15/25/28/569152528.db2.gz WAFIKQAGXUPOJH-UHFFFAOYSA-N -1 0 404.513 4.788 50 0 HJAARM COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1C ZINC000007005209 569198498 /nfs/dbraw/zinc/19/84/98/569198498.db2.gz CVLSUHKJTDEINC-UHFFFAOYSA-N -1 0 406.891 4.730 50 0 HJAARM O=S(=O)([N-]c1cnn(Cc2ccccc2Cl)c1)c1cc(Cl)ccc1Cl ZINC000002778278 569322555 /nfs/dbraw/zinc/32/25/55/569322555.db2.gz HADDFBPWWWMBBC-UHFFFAOYSA-N -1 0 416.717 4.692 50 0 HJAARM Cc1ccccc1N1Oc2c(O)n(-c3ccc(Cl)cc3)c(O)c2[C@H]1c1cccs1 ZINC000238924100 571046506 /nfs/dbraw/zinc/04/65/06/571046506.db2.gz QZCDVQBDBIBHHP-AQNXPRMDSA-N -1 0 424.909 4.761 50 0 HJAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)s1 ZINC000008961307 571189831 /nfs/dbraw/zinc/18/98/31/571189831.db2.gz JZBHCZGFRITNSS-UHFFFAOYSA-N -1 0 400.481 4.524 50 0 HJAARM CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1OC ZINC000009269071 571244266 /nfs/dbraw/zinc/24/42/66/571244266.db2.gz QKYREAMAKJLHQE-UHFFFAOYSA-N -1 0 406.891 4.675 50 0 HJAARM CCOC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000009646477 571276417 /nfs/dbraw/zinc/27/64/17/571276417.db2.gz GSPOPZJZAOITOJ-UHFFFAOYSA-N -1 0 407.488 4.635 50 0 HJAARM CCc1ccc(S(=O)(=O)Nc2ccc(N3CCCCCCC3)c(C(=O)[O-])c2)cc1 ZINC000032962186 524017083 /nfs/dbraw/zinc/01/70/83/524017083.db2.gz CXKAMBLLVAQXHA-UHFFFAOYSA-N -1 0 416.543 4.519 50 0 HJAARM COc1cccc(-n2c3nc(SCc4ccccc4)[n-]c(=O)c3sc2=S)c1 ZINC000032948255 525749518 /nfs/dbraw/zinc/74/95/18/525749518.db2.gz REXGGOQRFDTLFR-UHFFFAOYSA-N -1 0 413.549 4.806 50 0 HJAARM CC(C)c1ccc(NC(=O)c2ccccc2NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000000627378 557023524 /nfs/dbraw/zinc/02/35/24/557023524.db2.gz OOQFCMGZQKECHQ-RBUKOAKNSA-N -1 0 406.482 4.668 50 0 HJAARM O=C([O-])c1ccccc1C(=O)Nc1ncccc1OCc1ccc(Cl)c(Cl)c1 ZINC000001032571 557147813 /nfs/dbraw/zinc/14/78/13/557147813.db2.gz GGTWJBXFOJAHBS-UHFFFAOYSA-N -1 0 417.248 4.918 50 0 HJAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)c(Cl)c1Cl ZINC000001131630 557198711 /nfs/dbraw/zinc/19/87/11/557198711.db2.gz IRVNZBPBXWUEQA-UHFFFAOYSA-N -1 0 400.205 4.822 50 0 HJAARM CCCCSc1nnc2c(n1)O[C@@H](c1ccc(C(=O)[O-])cc1)Nc1ccccc1-2 ZINC000002062118 557304627 /nfs/dbraw/zinc/30/46/27/557304627.db2.gz XEAOPUMIEDBZQA-SFHVURJKSA-N -1 0 408.483 4.632 50 0 HJAARM O=C([O-])C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)cc1 ZINC000002386989 557343246 /nfs/dbraw/zinc/34/32/46/557343246.db2.gz PQXRHKBSMBRBBW-JOCHJYFZSA-N -1 0 405.425 4.880 50 0 HJAARM CC(C)(c1ccccc1)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002579385 557358005 /nfs/dbraw/zinc/35/80/05/557358005.db2.gz UVRGBXSOQUZHII-QHCPKHFHSA-N -1 0 415.489 4.956 50 0 HJAARM C[C@@](Cc1ccccc1)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002583020 557358347 /nfs/dbraw/zinc/35/83/47/557358347.db2.gz KLBKBAAOPOXFSK-VWLOTQADSA-N -1 0 401.462 4.611 50 0 HJAARM O=C(CF)[N-][C@H](Nc1cc(C(F)(F)F)ccc1Cl)C(Cl)(Cl)Cl ZINC000003152451 557451762 /nfs/dbraw/zinc/45/17/62/557451762.db2.gz XREQDWIYHVGYHX-VIFPVBQESA-N -1 0 402.002 4.553 50 0 HJAARM COc1ccc(Oc2ccc(C(F)(F)F)c(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])c2)cc1 ZINC000004324278 557541381 /nfs/dbraw/zinc/54/13/81/557541381.db2.gz RIZPTYIKLAAVSJ-LSDHHAIUSA-N -1 0 409.360 4.556 50 0 HJAARM CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000004614485 557572608 /nfs/dbraw/zinc/57/26/08/557572608.db2.gz WCKFQTUDRVHYPL-JKSUJKDBSA-N -1 0 413.495 4.506 50 0 HJAARM CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])sc2C1 ZINC000002736413 557751511 /nfs/dbraw/zinc/75/15/11/557751511.db2.gz AORQVCVHMJZNIX-FVQBIDKESA-N -1 0 400.544 4.766 50 0 HJAARM O=S(=O)([N-]c1cnn(Cc2ccc(Cl)cc2Cl)c1)c1ccc(Cl)cc1 ZINC000002760241 557758448 /nfs/dbraw/zinc/75/84/48/557758448.db2.gz SDOPUHLXOPNCHR-UHFFFAOYSA-N -1 0 416.717 4.692 50 0 HJAARM COc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000009095023 557823553 /nfs/dbraw/zinc/82/35/53/557823553.db2.gz AWJBVIMYXCWILB-UHFFFAOYSA-N -1 0 424.840 4.551 50 0 HJAARM CC1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2cccc(F)c2)CC1 ZINC000022852173 557839720 /nfs/dbraw/zinc/83/97/20/557839720.db2.gz BFQYEQXCUSBNPS-QGZVFWFLSA-N -1 0 412.490 4.717 50 0 HJAARM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccco4)c3[C@@H]2c2ccccc2)cc1 ZINC000020855100 558417471 /nfs/dbraw/zinc/41/74/71/558417471.db2.gz LUIPEJDHEPNGQM-QFIPXVFZSA-N -1 0 413.433 4.596 50 0 HJAARM O=C([O-])CCC(=O)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 ZINC000013302735 558529723 /nfs/dbraw/zinc/52/97/23/558529723.db2.gz UIZUUVXQIBFHTF-XTRLOZDISA-N -1 0 424.447 4.953 50 0 HJAARM CCOc1ccc(-c2[nH]nc3nc(-c4ccc(OCC)cc4)cc(C(=O)[O-])c32)cc1 ZINC000013363520 558530786 /nfs/dbraw/zinc/53/07/86/558530786.db2.gz AUSKZPUDRPAKPO-UHFFFAOYSA-N -1 0 403.438 4.788 50 0 HJAARM Cc1ccc(NC(=O)c2oc3ccccc3c2[N-]S(=O)(=O)c2cccs2)cc1 ZINC000028249684 558693576 /nfs/dbraw/zinc/69/35/76/558693576.db2.gz LMSNIOAVVHHYBJ-UHFFFAOYSA-N -1 0 412.492 4.856 50 0 HJAARM CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)C2c3ccccc3Oc3ccccc32)cc1 ZINC000004581215 558767150 /nfs/dbraw/zinc/76/71/50/558767150.db2.gz ZAHXGKQFRHRICV-HXUWFJFHSA-N -1 0 417.461 4.655 50 0 HJAARM Cc1ccc(NC(=O)c2cc(NC(=O)CCCC(=O)[O-])ccc2Cl)cc1Cl ZINC000002874010 558779461 /nfs/dbraw/zinc/77/94/61/558779461.db2.gz OBSLJCFTNLQAND-UHFFFAOYSA-N -1 0 409.269 4.748 50 0 HJAARM CCc1c(C)sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1C(=O)NC1CCCCC1 ZINC000017092396 558820792 /nfs/dbraw/zinc/82/07/92/558820792.db2.gz DUDOEVGSSAZMIO-DLBZAZTESA-N -1 0 420.575 4.511 50 0 HJAARM O=C([O-])[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1c1ccccc1 ZINC000039778397 558822540 /nfs/dbraw/zinc/82/25/40/558822540.db2.gz GHKDFAVPKIFJQB-PKTZIBPZSA-N -1 0 413.473 4.736 50 0 HJAARM O=C([O-])[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1c1ccccc1 ZINC000039778399 558822548 /nfs/dbraw/zinc/82/25/48/558822548.db2.gz GHKDFAVPKIFJQB-DHIUTWEWSA-N -1 0 413.473 4.736 50 0 HJAARM O=C([O-])C[C@@H](Cc1ccc(Cl)cc1)C(=O)NCCC12CC3CC(CC(C3)C1)C2 ZINC000004698246 558906373 /nfs/dbraw/zinc/90/63/73/558906373.db2.gz OIDRSYZHAHJTOX-GYVBGXKYSA-N -1 0 403.950 4.696 50 0 HJAARM Cc1nc2sc([C@@H](c3cccc(Cl)c3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000023157812 559022514 /nfs/dbraw/zinc/02/25/14/559022514.db2.gz APBNOQZFBIWGQP-GOSISDBHSA-N -1 0 410.930 4.606 50 0 HJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(C(C)(C)C)cs2)cs1 ZINC000033297832 559047741 /nfs/dbraw/zinc/04/77/41/559047741.db2.gz MRFKYVVZCPTFFD-UHFFFAOYSA-N -1 0 408.570 4.979 50 0 HJAARM O=C([O-])CN(Cc1ccc(F)c(F)c1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725241096 559068165 /nfs/dbraw/zinc/06/81/65/559068165.db2.gz XBSLWNOSNIFXOV-UHFFFAOYSA-N -1 0 423.415 4.801 50 0 HJAARM COc1ccc(C([O-])=C(C(=O)C(F)(F)F)C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000100127460 559161896 /nfs/dbraw/zinc/16/18/96/559161896.db2.gz KQHPQHSKJKPGGW-GZDOSPBESA-N -1 0 410.432 4.851 50 0 HJAARM O=C([O-])CCc1ccc(-c2ccc(Cl)cc2)n1NC(=O)c1ccccc1Cl ZINC000004834795 559165342 /nfs/dbraw/zinc/16/53/42/559165342.db2.gz ZUPPMIHKAFPSTC-UHFFFAOYSA-N -1 0 403.265 4.863 50 0 HJAARM Cc1ccc(NC(=S)N2CCC(c3cc(=O)n(-c4ccccc4)[n-]3)CC2)cc1C ZINC000004914643 559203181 /nfs/dbraw/zinc/20/31/81/559203181.db2.gz ZKWHBSCDGMSCMJ-UHFFFAOYSA-N -1 0 406.555 4.771 50 0 HJAARM O=C([O-])CCC(=O)N1N=C2/C(=C\c3cccs3)CCC[C@H]2[C@@H]1c1cccs1 ZINC000033573711 559213846 /nfs/dbraw/zinc/21/38/46/559213846.db2.gz OFSWBVKSEHHYTE-RSCKOCQQSA-N -1 0 400.525 4.797 50 0 HJAARM Cc1c(NC(=S)NC(=O)c2sc3ccccc3c2Cl)cccc1C(=O)[O-] ZINC000001141742 560727361 /nfs/dbraw/zinc/72/73/61/560727361.db2.gz ZPALKBJEBGHQFM-UHFFFAOYSA-N -1 0 404.900 4.688 50 0 HJAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nc3ccccc3s2)cc1 ZINC000003154337 560749439 /nfs/dbraw/zinc/74/94/39/560749439.db2.gz HDUWZNJSNFHWOI-UHFFFAOYSA-N -1 0 423.519 4.658 50 0 HJAARM O=c1c2c3c(sc2[n-]c(=S)n1Cc1ccccc1)CN(Cc1ccccc1)CC3 ZINC000018116412 560777188 /nfs/dbraw/zinc/77/71/88/560777188.db2.gz HIIBEOUSVCGDMW-UHFFFAOYSA-N -1 0 419.575 4.727 50 0 HJAARM Cc1ccc(NC(=O)c2c([O-])c3ccccc3n(-c3ccccc3)c2=O)cc1Cl ZINC000102621846 560818257 /nfs/dbraw/zinc/81/82/57/560818257.db2.gz UHFCMOORZBGBIH-UHFFFAOYSA-N -1 0 404.853 4.910 50 0 HJAARM CCCOC(=O)c1ccc(Oc2c(=O)c3ccc([O-])cc3oc2C(F)(F)F)cc1 ZINC000005738247 560861678 /nfs/dbraw/zinc/86/16/78/560861678.db2.gz HDIKCQXUHIBMJU-UHFFFAOYSA-N -1 0 408.328 4.877 50 0 biogenic HJAARM CC(C)(C)c1ccc(C(=O)N/C(=C\c2ccc(Br)cc2)C(=O)[O-])cc1 ZINC000033480553 568514934 /nfs/dbraw/zinc/51/49/34/568514934.db2.gz DWLTZLKVXOLDHY-ATVHPVEESA-N -1 0 402.288 4.602 50 0 HJAARM CCCN(CCC)c1ccc(C=[NH+][N-]c2nnc3c4cccc(C)c4nc-3[n-]2)cc1 ZINC000019990517 568586135 /nfs/dbraw/zinc/58/61/35/568586135.db2.gz HYCIYEJBEWHDHL-UHFFFAOYSA-N -1 0 401.518 4.887 50 0 HJAARM COc1ccc(Sc2nsc([N-]C(=O)c3cc(-c4ccc(C)cc4)on3)n2)cc1 ZINC000080345355 568602860 /nfs/dbraw/zinc/60/28/60/568602860.db2.gz IYQAJUHHHVRDLK-UHFFFAOYSA-N -1 0 424.507 4.914 50 0 HJAARM O=C([O-])c1cc(-c2cccc(F)c2)nc2n[nH]c(-c3ccc(Br)cc3)c21 ZINC000020492109 568614928 /nfs/dbraw/zinc/61/49/28/568614928.db2.gz VXASSGSBBUIVMP-UHFFFAOYSA-N -1 0 412.218 4.892 50 0 HJAARM COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000012414314 568717034 /nfs/dbraw/zinc/71/70/34/568717034.db2.gz TZOODUIBSRYWAQ-UHFFFAOYSA-N -1 0 421.927 4.964 50 0 HJAARM CCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1ccccc1 ZINC000012414866 568717204 /nfs/dbraw/zinc/71/72/04/568717204.db2.gz YKWSWJOPLRHFNG-UHFFFAOYSA-N -1 0 401.509 4.701 50 0 HJAARM Cc1csc(Oc2ccc([N-]S(=O)(=O)c3cnc(Cl)c(C)c3)cc2F)n1 ZINC000241367974 568731196 /nfs/dbraw/zinc/73/11/96/568731196.db2.gz MIWIUNFKZYCRHI-UHFFFAOYSA-N -1 0 413.883 4.541 50 0 HJAARM O=C([O-])c1nsc2c1NC(=O)C[C@@H]2c1ccccc1OCc1cccc(Cl)c1 ZINC000096335695 568736549 /nfs/dbraw/zinc/73/65/49/568736549.db2.gz TUMLWKURRXGAHS-CQSZACIVSA-N -1 0 414.870 4.548 50 0 HJAARM Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000002764649 568807524 /nfs/dbraw/zinc/80/75/24/568807524.db2.gz XKGCCXYHIXHGJH-UHFFFAOYSA-N -1 0 424.353 4.964 50 0 HJAARM Cc1cccc(Cn2cnc3c2cc(C)c(C)c3[N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000001388529 568923144 /nfs/dbraw/zinc/92/31/44/568923144.db2.gz SKVSHAMMVRWKNM-UHFFFAOYSA-N -1 0 423.513 4.950 50 0 HJAARM Cc1cc(-n2c(C)cc(C(=O)COc3c(Cl)cc(C(=O)[O-])cc3Cl)c2C)no1 ZINC000012771417 568952102 /nfs/dbraw/zinc/95/21/02/568952102.db2.gz SYAUVCRSSBMXAN-UHFFFAOYSA-N -1 0 423.252 4.657 50 0 HJAARM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1O ZINC000038165763 568974027 /nfs/dbraw/zinc/97/40/27/568974027.db2.gz MCKYZAHVGJTDLS-XFFZJAGNSA-N -1 0 421.236 4.604 50 0 HJAARM CC(C)c1ccc(S(=O)(=O)Nc2ccc(N3CCCCCC3)c(C(=O)[O-])c2)cc1 ZINC000015729572 568980185 /nfs/dbraw/zinc/98/01/85/568980185.db2.gz HABCCAPFGLHNLF-UHFFFAOYSA-N -1 0 416.543 4.689 50 0 HJAARM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)c1C ZINC000085664626 569006585 /nfs/dbraw/zinc/00/65/85/569006585.db2.gz DHPUIGOPKWXYIE-UHFFFAOYSA-N -1 0 401.435 4.575 50 0 HJAARM O=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1ccoc1 ZINC000016203487 569029826 /nfs/dbraw/zinc/02/98/26/569029826.db2.gz WSWJYSSVPBAFIN-UHFFFAOYSA-N -1 0 411.266 4.640 50 0 HJAARM O=C([O-])c1cccc(Nc2c(-c3cccc(Br)c3)nc3cnccn32)c1 ZINC000035476609 569038301 /nfs/dbraw/zinc/03/83/01/569038301.db2.gz GGZFLZNTRASFTO-UHFFFAOYSA-N -1 0 409.243 4.601 50 0 HJAARM O=C([O-])c1ccc(Nc2c(-c3cccc(Br)c3)nc3cnccn32)cc1 ZINC000035476606 569038323 /nfs/dbraw/zinc/03/83/23/569038323.db2.gz QLPRMVWZAVGZNJ-UHFFFAOYSA-N -1 0 409.243 4.601 50 0 HJAARM O=C([O-])c1ccccc1NC=C1C(=O)N(c2cccc(Cl)c2)C(=O)c2ccccc21 ZINC000102931025 569042192 /nfs/dbraw/zinc/04/21/92/569042192.db2.gz APYDKWDLNIMMIM-CPNJWEJPSA-N -1 0 418.836 4.678 50 0 HJAARM CC(C)c1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)cc1 ZINC000035557233 569044721 /nfs/dbraw/zinc/04/47/21/569044721.db2.gz HLDCUIOQOGXFKR-UHFFFAOYSA-N -1 0 403.529 4.990 50 0 HJAARM Cc1ccc(Nc2c(-c3ccc(C(=O)[O-])cc3)nc3cnccn32)c(Br)c1 ZINC000035622709 569046608 /nfs/dbraw/zinc/04/66/08/569046608.db2.gz FNQHBAMEKPDEPZ-UHFFFAOYSA-N -1 0 423.270 4.909 50 0 HJAARM COc1ccc(O)c([C@H]2CC(c3c(=O)cc(C)oc3[O-])=Nc3ccccc3S2)c1 ZINC000138083910 569063258 /nfs/dbraw/zinc/06/32/58/569063258.db2.gz SGURJIKSHABTSU-HXUWFJFHSA-N -1 0 409.463 4.726 50 0 HJAARM O=c1oc2ccccc2c([O-])c1[C@H]1c2ccccc2Oc2c3ccccc3oc(=O)c21 ZINC000006576219 569066823 /nfs/dbraw/zinc/06/68/23/569066823.db2.gz OALUGYLIPAUKCN-LJQANCHMSA-N -1 0 410.381 4.891 50 0 HJAARM CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccccc1 ZINC000064795277 569096108 /nfs/dbraw/zinc/09/61/08/569096108.db2.gz HVOOMZSGFNZDPP-OAHLLOKOSA-N -1 0 423.490 4.995 50 0 HJAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2c(F)cccc2F)CC(=O)N3)cc1 ZINC000064797249 569096461 /nfs/dbraw/zinc/09/64/61/569096461.db2.gz OGXAIYUNWDDTKG-LBPRGKRZSA-N -1 0 415.417 4.874 50 0 HJAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2ccccc2OC)CC(=O)N3)cc1 ZINC000064796707 569096483 /nfs/dbraw/zinc/09/64/83/569096483.db2.gz MWOKSKBSHUURDP-OAHLLOKOSA-N -1 0 409.463 4.605 50 0 HJAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCC4)o3)s2)cc1Cl ZINC000064920510 569121099 /nfs/dbraw/zinc/12/10/99/569121099.db2.gz YCKKUBJKSNFTOO-UHFFFAOYSA-N -1 0 409.920 4.828 50 0 HJAARM CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)cc1 ZINC000065004318 569152414 /nfs/dbraw/zinc/15/24/14/569152414.db2.gz XIHLKOUNZBGCQS-UHFFFAOYSA-N -1 0 404.513 4.870 50 0 HJAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cnc(C3CCC3)o2)s1 ZINC000065004475 569152429 /nfs/dbraw/zinc/15/24/29/569152429.db2.gz FJGCZRAFBVVTMN-UHFFFAOYSA-N -1 0 404.513 4.870 50 0 HJAARM COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1 ZINC000006887726 569171319 /nfs/dbraw/zinc/17/13/19/569171319.db2.gz VGKUJTSKIZHGMM-UHFFFAOYSA-N -1 0 400.500 4.891 50 0 HJAARM O=S(=O)([N-]c1ccc2c(c1)OC1(CCCCC1)O2)c1ccc(Cl)nc1Cl ZINC000065530374 569233872 /nfs/dbraw/zinc/23/38/72/569233872.db2.gz FGLZFDHHYOVSOX-UHFFFAOYSA-N -1 0 415.298 4.621 50 0 HJAARM O=C([O-])c1ccc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccccc5)coc4c32)cc1 ZINC000253403301 569365923 /nfs/dbraw/zinc/36/59/23/569365923.db2.gz HBLQUJLORSYPBO-SFHVURJKSA-N -1 0 412.397 4.599 50 0 biogenic HJAARM Cc1ccc2nc([N-]c3ncc4c(n3)C[C@@H](c3ccc(F)cc3)CC4=O)nc(C)c2c1 ZINC000002380867 569390697 /nfs/dbraw/zinc/39/06/97/569390697.db2.gz BZHSRMOJCDCXRG-MRXNPFEDSA-N -1 0 413.456 4.832 50 0 HJAARM Cc1ccc(C(=O)N[C@@H](C)c2nc3ccccc3n2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000008719956 571106761 /nfs/dbraw/zinc/10/67/61/571106761.db2.gz OOBBJWQLWBPRGG-KRWDZBQOSA-N -1 0 413.477 4.582 50 0 HJAARM CCOC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000009646481 571276422 /nfs/dbraw/zinc/27/64/22/571276422.db2.gz MVMFUVJVLRLHBZ-UHFFFAOYSA-N -1 0 407.488 4.635 50 0 HJAARM Cc1cc(C)cc(C[C@@H](CC(=O)Nc2ccc(C)c(Br)c2)C(=O)[O-])c1 ZINC000071405945 571293936 /nfs/dbraw/zinc/29/39/36/571293936.db2.gz QBJPOFFNHHGIBO-INIZCTEOSA-N -1 0 404.304 4.646 50 0 HJAARM CCc1cc2c(=O)c(Oc3ccc(I)cc3)c(C)oc2cc1[O-] ZINC000000630336 557026170 /nfs/dbraw/zinc/02/61/70/557026170.db2.gz NAZCWQUZTDSLIC-UHFFFAOYSA-N -1 0 422.218 4.766 50 0 HJAARM Cc1ccc(C(=O)[O-])cc1N1C(=O)c2ccc(Oc3ccc(Cl)cc3)cc2C1=O ZINC000000992751 557135690 /nfs/dbraw/zinc/13/56/90/557135690.db2.gz DELSXABXULGRME-UHFFFAOYSA-N -1 0 407.809 4.940 50 0 HJAARM CCOC(=O)c1c(C)oc(-c2ccc(Cl)cc2)c1S(=O)(=O)[N-]c1ccccc1 ZINC000001047139 557156903 /nfs/dbraw/zinc/15/69/03/557156903.db2.gz CGYGWEVMAIADDI-UHFFFAOYSA-N -1 0 419.886 4.886 50 0 HJAARM O=C([O-])CCc1ccc(-c2ccccc2)n1NC(=O)c1ccc(Cl)cc1Cl ZINC000001066484 557166549 /nfs/dbraw/zinc/16/65/49/557166549.db2.gz DBVJEENQMOBKRS-UHFFFAOYSA-N -1 0 403.265 4.863 50 0 HJAARM O=C([O-])c1ccc(NC(=O)c2ccccc2NC(=O)CSCc2ccccc2)cc1 ZINC000001115659 557186854 /nfs/dbraw/zinc/18/68/54/557186854.db2.gz JPBVBYHCPBRHKS-UHFFFAOYSA-N -1 0 420.490 4.509 50 0 HJAARM Cc1ccc(C[C@@H](CC(=O)[O-])NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC000002385954 557342900 /nfs/dbraw/zinc/34/29/00/557342900.db2.gz YDTDVZCEZPHDPY-IBGZPJMESA-N -1 0 415.489 4.920 50 0 HJAARM O=C([O-])[C@@H](Cc1ccccc1Cl)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002567688 557357118 /nfs/dbraw/zinc/35/71/18/557357118.db2.gz RNNKPNPLIMFSDY-JOCHJYFZSA-N -1 0 421.880 4.874 50 0 HJAARM COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)[O-])cc1OC ZINC000002582937 557358358 /nfs/dbraw/zinc/35/83/58/557358358.db2.gz QTKHOIFQEMJVHE-UHFFFAOYSA-N -1 0 419.433 4.763 50 0 HJAARM Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 ZINC000005579292 557663189 /nfs/dbraw/zinc/66/31/89/557663189.db2.gz NHFOUFBFAFJRHI-UHFFFAOYSA-N -1 0 400.887 4.702 50 0 HJAARM CCCCc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CCCCC2)cc1 ZINC000022657095 557674371 /nfs/dbraw/zinc/67/43/71/557674371.db2.gz HRSZHYMQFPVZQZ-UHFFFAOYSA-N -1 0 414.571 4.893 50 0 HJAARM O=C(NC1CCCCCC1)C1CCC(Cn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000003010355 557779522 /nfs/dbraw/zinc/77/95/22/557779522.db2.gz VFRISZSDRAEXPM-UHFFFAOYSA-N -1 0 413.587 4.704 50 0 HJAARM COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000008444944 557790119 /nfs/dbraw/zinc/79/01/19/557790119.db2.gz YZGSTEFWUADWRR-KGLIPLIRSA-N -1 0 421.902 4.685 50 0 HJAARM O=C([O-])[C@@H]1ON(c2ccccc2)[C@@H](c2ccccc2)[C@@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000012376112 558391780 /nfs/dbraw/zinc/39/17/80/558391780.db2.gz FMFPITJUNAVUGJ-PCCBWWKXSA-N -1 0 422.868 4.541 50 0 HJAARM FC(F)(F)Oc1ccc(-n2c(=S)[n-]nc2-c2cncc(Br)c2)cc1 ZINC000020746024 558410931 /nfs/dbraw/zinc/41/09/31/558410931.db2.gz BRAKYDLFYCXELT-UHFFFAOYSA-N -1 0 417.210 4.653 50 0 HJAARM Cc1cccc2cc([C@H]3CC(c4ccccc4)=NN3C(=O)CCC(=O)[O-])c(Cl)nc12 ZINC000013016279 558503993 /nfs/dbraw/zinc/50/39/93/558503993.db2.gz KPOWSINUMDIHQN-LJQANCHMSA-N -1 0 421.884 4.739 50 0 HJAARM Cc1ccc2nc(Cl)c([C@@H]3CC(c4ccccc4)=NN3C(=O)CCC(=O)[O-])cc2c1 ZINC000013809730 558595207 /nfs/dbraw/zinc/59/52/07/558595207.db2.gz XGVUBLMIZBPBLT-FQEVSTJZSA-N -1 0 421.884 4.739 50 0 HJAARM O=C([O-])C[C@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000004581059 558767180 /nfs/dbraw/zinc/76/71/80/558767180.db2.gz COQIHJOGQUWZIG-LBPRGKRZSA-N -1 0 401.768 4.511 50 0 HJAARM CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)C[C@@H](C)CC(=O)[O-])c2C(=O)OC)C1 ZINC000017088320 558817189 /nfs/dbraw/zinc/81/71/89/558817189.db2.gz OCYUETVFUZNGMC-OLZOCXBDSA-N -1 0 409.548 4.515 50 0 HJAARM CC(C)c1cc(C(=O)Nc2ccccc2)c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])s1 ZINC000017089983 558818432 /nfs/dbraw/zinc/81/84/32/558818432.db2.gz MXJYVFCKFMUNLY-HZPDHXFCSA-N -1 0 414.527 4.953 50 0 HJAARM O=C([O-])c1ccccc1S[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O ZINC000018180494 558832751 /nfs/dbraw/zinc/83/27/51/558832751.db2.gz MTGYNXBQCPYLDK-HXUWFJFHSA-N -1 0 419.458 4.601 50 0 HJAARM O=C([O-])CCN(Cc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000307545270 558869727 /nfs/dbraw/zinc/86/97/27/558869727.db2.gz JJELJPVKEUHQSD-UHFFFAOYSA-N -1 0 401.462 4.912 50 0 HJAARM CCn1cc(S(=O)(=O)[N-]c2ccc(-c3nc4ccc(Cl)cc4s3)cc2)cn1 ZINC000033169250 558899032 /nfs/dbraw/zinc/89/90/32/558899032.db2.gz GSJJELYYMQNXJB-UHFFFAOYSA-N -1 0 418.931 4.634 50 0 HJAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(-c3nc(C)c(C)s3)sc2C)c1 ZINC000033169479 558902766 /nfs/dbraw/zinc/90/27/66/558902766.db2.gz WCJBORXQLLVQAZ-UHFFFAOYSA-N -1 0 424.569 4.615 50 0 HJAARM CSc1cccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2n[nH]c(C)c2C)c1 ZINC000033306737 559051751 /nfs/dbraw/zinc/05/17/51/559051751.db2.gz YLHXSUJVCWDAMZ-UHFFFAOYSA-N -1 0 407.586 4.895 50 0 HJAARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@H]1Nc2ccccc2C(=O)N1CCc1ccccc1 ZINC000100103200 559129816 /nfs/dbraw/zinc/12/98/16/559129816.db2.gz UBOHQNHSSQYXPL-DEOSSOPVSA-N -1 0 424.504 4.696 50 0 HJAARM CC(C)Cn1c(=O)c(C(=O)Nc2ccc(Cl)cc2Cl)c([O-])c2ccccc21 ZINC000100460872 559135445 /nfs/dbraw/zinc/13/54/45/559135445.db2.gz OBAAIIWEIFJQCF-UHFFFAOYSA-N -1 0 405.281 4.922 50 0 HJAARM CCCn1c(=O)c(C(=O)Nc2nc3ccc(Cl)cc3s2)c([O-])c2ccccc21 ZINC000100658480 559137501 /nfs/dbraw/zinc/13/75/01/559137501.db2.gz WCENEBOKCJAHMN-UHFFFAOYSA-N -1 0 413.886 4.633 50 0 HJAARM O=c1c2c(nc3[n-]ncn31)nc1c(c2-c2ccccc2)CCC/C1=C\c1ccccc1 ZINC000103635195 559156622 /nfs/dbraw/zinc/15/66/22/559156622.db2.gz IKRHPFHQZQWRQK-NBVRZTHBSA-N -1 0 405.461 4.510 50 0 HJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NC2CCCCC2)cc1C ZINC000017209369 560704059 /nfs/dbraw/zinc/70/40/59/560704059.db2.gz VABSAWOZTNIQTM-UHFFFAOYSA-N -1 0 410.543 4.792 50 0 HJAARM O=C([O-])c1ccc(CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1 ZINC000000979318 560726720 /nfs/dbraw/zinc/72/67/20/560726720.db2.gz YXEQVFLGSOQPJN-UHFFFAOYSA-N -1 0 411.266 4.946 50 0 HJAARM CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000001125237 560727250 /nfs/dbraw/zinc/72/72/50/560727250.db2.gz ZILMERDJHZAQJS-BJMVGYQFSA-N -1 0 402.903 4.688 50 0 HJAARM CCCC[C@H](CC)[C@@H]1[C@H]2C(=O)N(c3cccc(C)c3)C([O-])=C2ON1c1ccccc1 ZINC000102725997 560821758 /nfs/dbraw/zinc/82/17/58/560821758.db2.gz QGBCDYBRZMPPGI-JBJBFBLISA-N -1 0 406.526 4.890 50 0 HJAARM COc1cc(OC)cc([C@H]2Nc3nonc3N=C3C[C@H](c4cccs4)CC(=O)C32)c1 ZINC000102743909 560823818 /nfs/dbraw/zinc/82/38/18/560823818.db2.gz HDTJTDAIVPSRKZ-JEOXALJRSA-N -1 0 424.482 4.777 50 0 HJAARM COc1ccc([C@@H]2CC(=O)C3C(=Nc4nonc4N[C@H]3c3ccc(F)cc3)C2)cc1 ZINC000102739418 560824770 /nfs/dbraw/zinc/82/47/70/560824770.db2.gz KPKJPAXKIZJFDQ-XOBRGWDASA-N -1 0 406.417 4.846 50 0 HJAARM COC(=O)c1ccc([C@@H]2Nc3nonc3N=C3C[C@@H](c4cccs4)CC(=O)C32)cc1 ZINC000102739486 560824849 /nfs/dbraw/zinc/82/48/49/560824849.db2.gz NACDCRJZUCNYNT-ACJLOTCBSA-N -1 0 422.466 4.547 50 0 HJAARM CC(C)OC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000005727286 560854466 /nfs/dbraw/zinc/85/44/66/560854466.db2.gz HYEXJGHCCCQSNE-JKSUJKDBSA-N -1 0 413.495 4.586 50 0 HJAARM COc1cccc([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCC(C)CC2)c1 ZINC000022852436 568415612 /nfs/dbraw/zinc/41/56/12/568415612.db2.gz BOIDSQFTZDIFON-GOSISDBHSA-N -1 0 424.526 4.586 50 0 HJAARM Cc1cc(NC(=O)c2ccccc2)c(C)c(S(=O)(=O)c2ccc(Cl)cc2)c1[O-] ZINC000000719264 568466024 /nfs/dbraw/zinc/46/60/24/568466024.db2.gz OZGBJPLQJPTYCF-UHFFFAOYSA-N -1 0 415.898 4.748 50 0 HJAARM O=C([O-])[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000000754799 568471869 /nfs/dbraw/zinc/47/18/69/568471869.db2.gz PODMPRCLQNOLFB-LIKPIUCQSA-N -1 0 403.865 4.887 50 0 HJAARM CCc1nc2sc([C@H](c3cccc(Cl)c3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000012341916 568483193 /nfs/dbraw/zinc/48/31/93/568483193.db2.gz RGMVHDMPFVLVOA-IBGZPJMESA-N -1 0 424.957 4.860 50 0 HJAARM COc1ccc(Sc2nsc([N-]C(=O)c3cc(-c4ccccc4)on3)n2)cc1 ZINC000080345366 568602932 /nfs/dbraw/zinc/60/29/32/568602932.db2.gz CQZVZBUDZRPFRP-UHFFFAOYSA-N -1 0 410.480 4.605 50 0 HJAARM O=C([O-])c1ccc(-n2c(=O)c3ccccc3nc2/C=C\c2ccc(F)c(F)c2)cc1 ZINC000096095922 568688663 /nfs/dbraw/zinc/68/86/63/568688663.db2.gz QOOILXITPHYDKB-SDQBBNPISA-N -1 0 404.372 4.533 50 0 HJAARM Cc1cc(-c2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c(C)s2)on1 ZINC000096323449 568731938 /nfs/dbraw/zinc/73/19/38/568731938.db2.gz VCPLPXYMYHNCTD-UHFFFAOYSA-N -1 0 402.419 4.840 50 0 HJAARM Cc1cc([O-])c(C2=Nc3ccccc3S[C@H](c3ccc4c(c3)OCO4)C2)c(=O)o1 ZINC000005796929 568734280 /nfs/dbraw/zinc/73/42/80/568734280.db2.gz OZGALNWXNJTTKM-FQEVSTJZSA-N -1 0 407.447 4.740 50 0 biogenic HJAARM Cc1nn(-c2ccc(Cl)cc2)c(C)c1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000096357187 568738673 /nfs/dbraw/zinc/73/86/73/568738673.db2.gz KVXIUHINECNWLH-UHFFFAOYSA-N -1 0 414.289 4.736 50 0 HJAARM O=C([O-])c1cccc(-n2c(=O)c3ccccc3nc2/C=C\c2ccc(F)c(F)c2)c1 ZINC000082097838 568821713 /nfs/dbraw/zinc/82/17/13/568821713.db2.gz OTIACRFPGYZTJS-LUAWRHEFSA-N -1 0 404.372 4.533 50 0 HJAARM Cc1cccc(NC(=O)C2CCC(Cn3c(=O)c4ccccc4[n-]c3=S)CC2)c1 ZINC000002971980 568831929 /nfs/dbraw/zinc/83/19/29/568831929.db2.gz HPYVAZHLAYTQMZ-UHFFFAOYSA-N -1 0 407.539 4.813 50 0 HJAARM Oc1ccccc1C1=N[C@H](c2ccc(Br)cc2)N[C@@H](c2ccccn2)C1 ZINC000058015121 568876232 /nfs/dbraw/zinc/87/62/32/568876232.db2.gz RVTUSWBLGPRBKK-CTNGQTDRSA-N -1 0 408.299 4.772 50 0 HJAARM Cc1ccc(C(=O)Nc2ccc3nc([N-]S(=O)(=O)c4ccccc4)sc3c2)cc1 ZINC000015862092 569015630 /nfs/dbraw/zinc/01/56/30/569015630.db2.gz RPIQIPBBKMXZBA-UHFFFAOYSA-N -1 0 423.519 4.658 50 0 HJAARM COC([O-])=NC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(Cc2ccccc2)cc1 ZINC000016689832 569070652 /nfs/dbraw/zinc/07/06/52/569070652.db2.gz YXOPMKUZSINVGE-UHFFFAOYSA-N -1 0 422.506 4.704 50 0 HJAARM Cc1ccc(C)c(Sc2ccc(S(=O)(=O)Nc3ccc(C(=O)[O-])cc3)cc2)c1 ZINC000006623419 569075073 /nfs/dbraw/zinc/07/50/73/569075073.db2.gz MKJDCDKTQVNQTJ-UHFFFAOYSA-N -1 0 413.520 4.954 50 0 HJAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N2c3ccccc3C[C@@H]2C)c1 ZINC000006707699 569095422 /nfs/dbraw/zinc/09/54/22/569095422.db2.gz FZXHPQAAWVODAQ-SFHVURJKSA-N -1 0 420.534 4.696 50 0 HJAARM CCOc1ccccc1[C@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccc(OC)cc1 ZINC000064796712 569096463 /nfs/dbraw/zinc/09/64/63/569096463.db2.gz OOSCNUWIDGTNHS-MRXNPFEDSA-N -1 0 423.490 4.995 50 0 HJAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2c(F)cccc2F)CC(=O)N3)cc1 ZINC000064797250 569096479 /nfs/dbraw/zinc/09/64/79/569096479.db2.gz OGXAIYUNWDDTKG-GFCCVEGCSA-N -1 0 415.417 4.874 50 0 HJAARM Cc1nn(C[C@@H](C)c2n[n-]c(=S)n2-c2cccc(C)c2C)c(C)c1Br ZINC000006912980 569179464 /nfs/dbraw/zinc/17/94/64/569179464.db2.gz DRWAPUZTNWNCJD-LLVKDONJSA-N -1 0 420.380 4.926 50 0 HJAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000170618449 569247961 /nfs/dbraw/zinc/24/79/61/569247961.db2.gz MSTBHFGTCJCFHO-SFHVURJKSA-N -1 0 421.280 4.545 50 0 HJAARM Cc1cc(COc2c(F)cc(C[C@H](C)C(=O)[O-])cc2F)n(-c2ccc(Cl)cc2)n1 ZINC000068203225 569398917 /nfs/dbraw/zinc/39/89/17/569398917.db2.gz PAMVQOQTCKJQJK-LBPRGKRZSA-N -1 0 420.843 4.955 50 0 HJAARM C[C@@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)[n-]c(=S)n(C2CCCCC2)c3=O)[C@H]1C ZINC000334158723 571050369 /nfs/dbraw/zinc/05/03/69/571050369.db2.gz QEMPFZUUBGDTRZ-ZRGWGRIASA-N -1 0 413.587 4.745 50 0 HJAARM COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1ccc(C)c(C)c1 ZINC000009002255 571209796 /nfs/dbraw/zinc/20/97/96/571209796.db2.gz MRSFNUWGMJFMSR-UHFFFAOYSA-N -1 0 415.536 4.928 50 0 HJAARM Cc1cc(=O)oc2cc([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)ccc12 ZINC000009468745 571261389 /nfs/dbraw/zinc/26/13/89/571261389.db2.gz YJZKZOXCRCHWJG-UHFFFAOYSA-N -1 0 417.792 4.574 50 0 HJAARM O=C([O-])C[C@@H](Cc1nc2ccccc2[nH]1)c1ccccc1OC(=O)c1ccccc1 ZINC000009517191 571265241 /nfs/dbraw/zinc/26/52/41/571265241.db2.gz DVOUCMDWSIDAEJ-QGZVFWFLSA-N -1 0 400.434 4.583 50 0 HJAARM COc1ccccc1NC(=O)c1ccc2c(c1)nc1c(c2SCC(=O)[O-])CCCC1 ZINC000009611654 571273771 /nfs/dbraw/zinc/27/37/71/571273771.db2.gz YUYSMUTXEJOHOS-UHFFFAOYSA-N -1 0 422.506 4.551 50 0 HJAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)N1CCCc2ccccc21 ZINC000003215724 132263310 /nfs/dbraw/zinc/26/33/10/132263310.db2.gz KUONJQSQCMEUKU-UHFFFAOYSA-N -1 0 424.497 4.528 50 0 HJAARM Cc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4c5ccccc5ccc4N(C)C3)C2=O)c(C)c1 ZINC000008974385 132334333 /nfs/dbraw/zinc/33/43/33/132334333.db2.gz JQFYPQGQFAACIX-RUZDIDTESA-N -1 0 413.477 4.559 50 0 HJAARM CCC(C)(C)c1ccc(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC000042783128 521371494 /nfs/dbraw/zinc/37/14/94/521371494.db2.gz GTPIAVOUBNDUMQ-HOCLYGCPSA-N -1 0 411.926 4.869 50 0 HJAARM COc1cccc([C@@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3ccccc3S2)c1O ZINC000000754336 557076180 /nfs/dbraw/zinc/07/61/80/557076180.db2.gz BWCPGXSVXRCGOT-IBGZPJMESA-N -1 0 409.463 4.726 50 0 HJAARM CCCc1ccc(S(=O)(=O)[N-]c2ncccc2OCc2cc(F)cc(F)c2)cc1 ZINC000001043450 557154956 /nfs/dbraw/zinc/15/49/56/557154956.db2.gz WJSUJZNZLITJRA-UHFFFAOYSA-N -1 0 418.465 4.692 50 0 HJAARM CCCOc1ccc(-c2csc3ncn(Cc4ccc(C(=O)[O-])cc4)c(=O)c23)cc1 ZINC000001871033 557293212 /nfs/dbraw/zinc/29/32/12/557293212.db2.gz XMZALXKARQACDD-UHFFFAOYSA-N -1 0 420.490 4.660 50 0 HJAARM Cc1cnc([N-]C(NC(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(F)(F)F)s1 ZINC000002050291 557300604 /nfs/dbraw/zinc/30/06/04/557300604.db2.gz PQDDJDWXTMQJKP-UHFFFAOYSA-N -1 0 417.762 4.768 50 0 HJAARM O=C([O-])COc1c(Cl)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1Cl ZINC000002333178 557338030 /nfs/dbraw/zinc/33/80/30/557338030.db2.gz QZIYHSQVUIAOCW-ZSOIEALJSA-N -1 0 424.261 4.698 50 0 HJAARM Cc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)cc1F ZINC000002376831 557342053 /nfs/dbraw/zinc/34/20/53/557342053.db2.gz JETKMUONIKYGPL-UHFFFAOYSA-N -1 0 408.458 4.622 50 0 HJAARM CCCCSCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002583230 557358293 /nfs/dbraw/zinc/35/82/93/557358293.db2.gz DWKYMIMIHMHMMY-OAQYLSRUSA-N -1 0 413.539 4.902 50 0 HJAARM Cc1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000003219180 557458145 /nfs/dbraw/zinc/45/81/45/557458145.db2.gz UDOOBWSBFFWDRJ-UHFFFAOYSA-N -1 0 400.066 4.797 50 0 HJAARM CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000004179873 557525660 /nfs/dbraw/zinc/52/56/60/557525660.db2.gz RJFSKMAIQNEYCC-CABCVRRESA-N -1 0 419.474 4.560 50 0 HJAARM O=C([O-])[C@H](CCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000004208798 557528825 /nfs/dbraw/zinc/52/88/25/557528825.db2.gz CIHPCIUGLIZADU-QHCPKHFHSA-N -1 0 401.462 4.611 50 0 HJAARM COC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1CCCCCCCCCC2 ZINC000004614545 557572698 /nfs/dbraw/zinc/57/26/98/557572698.db2.gz AEKWQQWHJISPRB-UHFFFAOYSA-N -1 0 409.548 4.948 50 0 HJAARM CCOC(=O)c1cc(C(C)C)sc1NC(=O)[C@H]1[C@H]2CC[C@H](C2=C(C)C)[C@@H]1C(=O)[O-] ZINC000004651467 557575884 /nfs/dbraw/zinc/57/58/84/557575884.db2.gz KMGHPDNJIREZLH-GGNLRSJOSA-N -1 0 419.543 4.680 50 0 HJAARM CC(C)CNC(=O)c1cccc(NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])c1 ZINC000004695728 557582379 /nfs/dbraw/zinc/58/23/79/557582379.db2.gz BYWWLTIFQWGQFH-UHFFFAOYSA-N -1 0 416.477 4.690 50 0 HJAARM CSc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000004756903 557594187 /nfs/dbraw/zinc/59/41/87/557594187.db2.gz ZVVGVYIFKXPLHB-UHFFFAOYSA-N -1 0 412.536 4.770 50 0 HJAARM CCOc1ccc(NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)[O-])cc1 ZINC000004866485 557608209 /nfs/dbraw/zinc/60/82/09/557608209.db2.gz UTPMGSCJLVZZPD-MXXWWZHRSA-N -1 0 413.473 4.632 50 0 HJAARM CCc1nc2sc([C@@H](c3ccc(Cl)c(Cl)c3)N3CCCCC3)c([O-])n2n1 ZINC000022853137 557840061 /nfs/dbraw/zinc/84/00/61/557840061.db2.gz JWNFQQOTXICVQP-OAHLLOKOSA-N -1 0 411.358 4.941 50 0 HJAARM COc1cc2c(cc1Br)n(C)c(COc1ccc(Cl)cc1)c2C(=O)[O-] ZINC000012427995 558403710 /nfs/dbraw/zinc/40/37/10/558403710.db2.gz JYCVVYMCDJLLTI-UHFFFAOYSA-N -1 0 424.678 4.880 50 0 HJAARM O=C([O-])Cn1c(SCc2c(Cl)cccc2Cl)nnc1-c1cccs1 ZINC000012978173 558492576 /nfs/dbraw/zinc/49/25/76/558492576.db2.gz BUSXDFFFLDRVRU-UHFFFAOYSA-N -1 0 400.312 4.690 50 0 HJAARM Cc1ccc(N2C(=O)[N-]C(=O)[C@](CCc3ccccn3)(Cc3cccs3)C2=O)cc1 ZINC000001127424 558775286 /nfs/dbraw/zinc/77/52/86/558775286.db2.gz XSPJDXNPANEXEV-QHCPKHFHSA-N -1 0 419.506 4.737 50 0 HJAARM CC(C)c1cc(C(=O)Nc2ccccc2)c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])s1 ZINC000017089211 558817893 /nfs/dbraw/zinc/81/78/93/558817893.db2.gz HVBOIAVSULWUQH-HZPDHXFCSA-N -1 0 412.511 4.729 50 0 HJAARM Cc1ccc(C(=O)Nc2ccc3nc(N4C[C@H](C)C[C@H](C)C4)cc(C(=O)[O-])c3c2)cc1 ZINC000033010255 558829678 /nfs/dbraw/zinc/82/96/78/558829678.db2.gz KXCZGIHEBRUWDJ-CALCHBBNSA-N -1 0 417.509 4.976 50 0 HJAARM CCOc1ccc(-c2ccnc(NCc3ccc(F)cc3Cl)n2)cc1C(=O)[O-] ZINC000077516430 559007840 /nfs/dbraw/zinc/00/78/40/559007840.db2.gz SAXSXYWDVVUSMR-UHFFFAOYSA-N -1 0 401.825 4.645 50 0 HJAARM Cc1nc2sc([C@@H](c3ccc(Cl)cc3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000023156995 559022028 /nfs/dbraw/zinc/02/20/28/559022028.db2.gz YKSJKXYNTNGIHL-GOSISDBHSA-N -1 0 410.930 4.606 50 0 HJAARM Cc1nc2sc([C@H](c3ccc(Cl)cc3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000023156993 559022038 /nfs/dbraw/zinc/02/20/38/559022038.db2.gz YKSJKXYNTNGIHL-SFHVURJKSA-N -1 0 410.930 4.606 50 0 HJAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(C)c(C)s2)sc1C ZINC000033290089 559047074 /nfs/dbraw/zinc/04/70/74/559047074.db2.gz RGHHHYSSCWZOFQ-UHFFFAOYSA-N -1 0 408.570 4.996 50 0 HJAARM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)cc1 ZINC000095067842 559079180 /nfs/dbraw/zinc/07/91/80/559079180.db2.gz OMOBIVNVBIPQNK-UHFFFAOYSA-N -1 0 403.843 4.631 50 0 HJAARM O=S(=O)([N-]c1cc(F)cc(F)c1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098073055 559126665 /nfs/dbraw/zinc/12/66/65/559126665.db2.gz ORXDJENKZMBVNW-UHFFFAOYSA-N -1 0 416.165 4.547 50 0 HJAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)[O-])occ3-c1ccc(Br)cc1 ZINC000011691931 559185564 /nfs/dbraw/zinc/18/55/64/559185564.db2.gz AGHVEDXIHRKCTB-UHFFFAOYSA-N -1 0 413.223 4.904 50 0 biogenic HJAARM CCc1nnsc1C(=O)[N-]c1c2ccccc2oc1C(=O)c1ccc(C)c(F)c1 ZINC000004941905 559213241 /nfs/dbraw/zinc/21/32/41/559213241.db2.gz GQQXIXRWODVOBU-UHFFFAOYSA-N -1 0 409.442 4.778 50 0 HJAARM O=C([O-])c1sc2cc(N3C(=S)N=NC3c3ccc(F)cc3)ccc2c1Cl ZINC000006829155 560206487 /nfs/dbraw/zinc/20/64/87/560206487.db2.gz PNSKQUARDFXFAX-UHFFFAOYSA-N -1 0 405.863 4.928 50 0 in-vitro HJAARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1CCC(=O)Nc1ccccc1C ZINC000101501644 560796612 /nfs/dbraw/zinc/79/66/12/560796612.db2.gz NSBJNKTXDXALQJ-UHFFFAOYSA-N -1 0 418.522 4.890 50 0 HJAARM CCc1ccc(NC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(C)cc5)nc-4c3c2)cc1 ZINC000101828109 560802657 /nfs/dbraw/zinc/80/26/57/560802657.db2.gz JSZIOWJEEANGBG-UHFFFAOYSA-N -1 0 422.488 4.942 50 0 HJAARM Cc1sc2nc(SCC(=O)[O-])n(-c3ccc(Cl)c(Cl)c3)c(=O)c2c1C ZINC000013564151 560816497 /nfs/dbraw/zinc/81/64/97/560816497.db2.gz BRRZLTYFTFXRGM-UHFFFAOYSA-N -1 0 415.323 4.548 50 0 HJAARM CCOC(=O)C(=C(O)CSc1nc(-c2ccccc2)cs1)c1nc(C)cs1 ZINC000103076154 560837601 /nfs/dbraw/zinc/83/76/01/560837601.db2.gz DWHMZHOJPCCTEJ-MRXNPFEDSA-N -1 0 418.565 4.583 50 0 HJAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1cccc(Cl)c1)c1ccccc1 ZINC000003169283 560893314 /nfs/dbraw/zinc/89/33/14/560893314.db2.gz FYVVGMMVCLWIBG-UHFFFAOYSA-N -1 0 410.886 4.828 50 0 HJAARM Cc1nn(-c2ccc(F)cc2F)c2c1C(=C([O-])c1cc3ccccc3o1)CC(=O)N2 ZINC000046057169 568426017 /nfs/dbraw/zinc/42/60/17/568426017.db2.gz VWTKJDQPOYRKNP-AWEZNQCLSA-N -1 0 407.376 4.514 50 0 HJAARM CCCCOc1ccc(-c2cc(C(=O)[N-]c3nnc(SCC)s3)no2)cc1 ZINC000046086755 568428112 /nfs/dbraw/zinc/42/81/12/568428112.db2.gz FOGBZDAAVGEBKR-UHFFFAOYSA-N -1 0 404.517 4.736 50 0 HJAARM Cc1cc(F)ccc1NC(=O)c1c([O-])c2sccc2n(Cc2ccccc2)c1=O ZINC000049409602 568449689 /nfs/dbraw/zinc/44/96/89/568449689.db2.gz PBFXYYLXZHDXCT-UHFFFAOYSA-N -1 0 408.454 4.517 50 0 HJAARM O=C([O-])c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 ZINC000007603916 568483105 /nfs/dbraw/zinc/48/31/05/568483105.db2.gz SDXJQZZSJWBEKJ-UHFFFAOYSA-N -1 0 404.029 4.628 50 0 HJAARM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)o1 ZINC000033263900 568512156 /nfs/dbraw/zinc/51/21/56/568512156.db2.gz SLLYYLDEFJWTDA-UHFFFAOYSA-N -1 0 406.769 4.716 50 0 HJAARM Cc1[nH]nc(-c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)s2)c1C ZINC000020991956 568656073 /nfs/dbraw/zinc/65/60/73/568656073.db2.gz HGFZOUDSSBWGJS-UHFFFAOYSA-N -1 0 401.435 4.575 50 0 HJAARM COC(=O)C[C@@H](c1ccsc1)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096115080 568694603 /nfs/dbraw/zinc/69/46/03/568694603.db2.gz CCQKIALDOBRBLY-KRWDZBQOSA-N -1 0 422.458 4.628 50 0 biogenic HJAARM Cc1noc(-c2cc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)c(C)s2)c1C ZINC000096323560 568732236 /nfs/dbraw/zinc/73/22/36/568732236.db2.gz FLFKBCXADXYYKE-UHFFFAOYSA-N -1 0 400.884 4.922 50 0 HJAARM O=C([O-])c1cc(-c2ccc(I)cc2)nc2c(Cl)cccc12 ZINC000001004445 568762410 /nfs/dbraw/zinc/76/24/10/568762410.db2.gz YAEWPZRCUMQFKD-UHFFFAOYSA-N -1 0 409.610 4.858 50 0 HJAARM O=C([O-])CC1=C(Nc2ccccc2)C(=O)N(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000001070997 568765714 /nfs/dbraw/zinc/76/57/14/568765714.db2.gz VIDJILWPKQHREE-HSZRJFAPSA-N -1 0 402.425 4.755 50 0 HJAARM Cc1[nH]c2ccccc2c1[C@@H]([N-]S(=O)(=O)c1ccccc1)C(Cl)(Cl)Cl ZINC000001065172 568766437 /nfs/dbraw/zinc/76/64/37/568766437.db2.gz DQHOILISLFJVTD-MRXNPFEDSA-N -1 0 417.745 4.866 50 0 HJAARM C[C@@H](NC(=O)c1ccc(Cn2c(=O)c3sccc3[n-]c2=S)cc1)c1ccccc1 ZINC000002932463 568818495 /nfs/dbraw/zinc/81/84/95/568818495.db2.gz AJJBGZJAGZSMJI-CQSZACIVSA-N -1 0 421.547 4.660 50 0 HJAARM CCOC(=O)c1c(NC(=O)CCC(=O)[O-])sc(C)c1-c1ccc(C(C)C)cc1 ZINC000005953012 568832224 /nfs/dbraw/zinc/83/22/24/568832224.db2.gz OMFOTZVZGLORGB-UHFFFAOYSA-N -1 0 403.500 4.827 50 0 HJAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccccc1Cl)c1cccs1 ZINC000003169788 568859306 /nfs/dbraw/zinc/85/93/06/568859306.db2.gz DROWQMPPOSUTDE-UHFFFAOYSA-N -1 0 416.915 4.889 50 0 HJAARM CCCOc1ccc([C@@H](CC(=O)[O-])NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000003624340 568864580 /nfs/dbraw/zinc/86/45/80/568864580.db2.gz WQBRCBDDAXIWCS-HSZRJFAPSA-N -1 0 417.505 4.940 50 0 HJAARM Cc1cc([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc4c(c3)OCO4)C2)c(=O)o1 ZINC000005441819 568906828 /nfs/dbraw/zinc/90/68/28/568906828.db2.gz OZGALNWXNJTTKM-HXUWFJFHSA-N -1 0 407.447 4.740 50 0 biogenic HJAARM O=C(Nc1ccc(F)cc1)c1ccc2c(c1)[n-]c(=S)n(CCc1ccccc1)c2=O ZINC000003631197 568921466 /nfs/dbraw/zinc/92/14/66/568921466.db2.gz AOVAKHGPYGADQW-UHFFFAOYSA-N -1 0 419.481 4.693 50 0 HJAARM CCCCn1c(=O)c(C(=O)Nc2ccc(Br)cc2)c([O-])c2ccccc21 ZINC000100479970 569008102 /nfs/dbraw/zinc/00/81/02/569008102.db2.gz PKUHGAJDPNJEBS-UHFFFAOYSA-N -1 0 415.287 4.522 50 0 HJAARM O=C([O-])Cc1ccc([S@@](=O)c2ccc(OCc3ccc4ccccc4n3)cc2)cc1 ZINC000035951530 569012730 /nfs/dbraw/zinc/01/27/30/569012730.db2.gz MSUJTIAXHUARBG-PMERELPUSA-N -1 0 417.486 4.608 50 0 HJAARM Cc1cc(NC(=O)c2ccccc2)cc2sc([N-]S(=O)(=O)c3ccccc3)nc21 ZINC000015862139 569015788 /nfs/dbraw/zinc/01/57/88/569015788.db2.gz KPZXNLMIXWSMAP-UHFFFAOYSA-N -1 0 423.519 4.658 50 0 HJAARM CCCc1ccc(S(=O)(=O)[N-]c2ccn(Cc3cccc4ccccc43)n2)cc1 ZINC000006502321 569061675 /nfs/dbraw/zinc/06/16/75/569061675.db2.gz QRYPNXWBRZEJLI-UHFFFAOYSA-N -1 0 405.523 4.838 50 0 HJAARM C[C@@H](OC(C)(C)C)[C@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000008243923 569070017 /nfs/dbraw/zinc/07/00/17/569070017.db2.gz UFJMOCVIPRJMLW-VFNWGFHPSA-N -1 0 411.498 4.572 50 0 HJAARM CCOc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)cc1OC ZINC000064795307 569096139 /nfs/dbraw/zinc/09/61/39/569096139.db2.gz GEAOQAPNELBXEB-HNNXBMFYSA-N -1 0 423.490 4.995 50 0 HJAARM COc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(C)cc2)cc1OC ZINC000064795998 569096379 /nfs/dbraw/zinc/09/63/79/569096379.db2.gz LOCKMMQRLQLCAR-OAHLLOKOSA-N -1 0 423.490 4.913 50 0 HJAARM O=S(=O)([N-]c1ccc(Cl)cc1F)c1ccc(-c2nnc(C3CCC3)o2)s1 ZINC000064920601 569121236 /nfs/dbraw/zinc/12/12/36/569121236.db2.gz UNHMRASJRRRLCQ-UHFFFAOYSA-N -1 0 413.883 4.659 50 0 HJAARM COc1ccc(O)c([C@@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3ccccc3S2)c1 ZINC000006825392 569141109 /nfs/dbraw/zinc/14/11/09/569141109.db2.gz RJXNIEKMQFKMNU-FQEVSTJZSA-N -1 0 409.463 4.726 50 0 biogenic HJAARM Cc1ncc(-c2ccc(S(=O)(=O)[N-]c3ccc(Br)c(C)c3)s2)o1 ZINC000065003875 569152286 /nfs/dbraw/zinc/15/22/86/569152286.db2.gz SWGUDIHOSYVHGY-UHFFFAOYSA-N -1 0 413.318 4.583 50 0 HJAARM CC(C)COc1ccc(-c2noc(-c3c(=O)[nH]c4c(Cl)cccc4c3[O-])n2)cc1 ZINC000065248622 569205761 /nfs/dbraw/zinc/20/57/61/569205761.db2.gz AORHDNLQINHAEL-UHFFFAOYSA-N -1 0 411.845 4.639 50 0 HJAARM O=C1C[C@H](c2cccnc2)c2c(cc([O-])c3c(=O)c(-c4ccc(Cl)cc4)coc32)O1 ZINC000253413854 569366891 /nfs/dbraw/zinc/36/68/91/569366891.db2.gz VVWFFNXZRDYJPX-OAHLLOKOSA-N -1 0 419.820 4.655 50 0 biogenic HJAARM CC(C)N(C(=O)OC(C)(C)C)[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)[O-] ZINC000309848597 569389720 /nfs/dbraw/zinc/38/97/20/569389720.db2.gz ZEXXMLQDDPRJBW-NRFANRHFSA-N -1 0 413.514 4.907 50 0 HJAARM COc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1c(C)cc(C)cc1C ZINC000013358230 569411570 /nfs/dbraw/zinc/41/15/70/569411570.db2.gz FJKCVTVNWFHNFJ-UHFFFAOYSA-N -1 0 402.541 4.853 50 0 HJAARM Cc1n[nH]c(SC(=Cc2ccc(OCc3ccccc3Cl)cc2)C(=O)[O-])n1 ZINC000008667063 571099932 /nfs/dbraw/zinc/09/99/32/571099932.db2.gz CSPCBMRFIAQQRW-YVLHZVERSA-N -1 0 401.875 4.563 50 0 HJAARM CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1ccc(O)c(C(=O)[O-])c1 ZINC000008870918 571130283 /nfs/dbraw/zinc/13/02/83/571130283.db2.gz OXFJRRHVGGMKKH-UHFFFAOYSA-N -1 0 420.343 4.578 50 0 HJAARM CN1c2ccccc2Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2C1=O ZINC000008961045 571189400 /nfs/dbraw/zinc/18/94/00/571189400.db2.gz FVVJZUPFRSKDQG-UHFFFAOYSA-N -1 0 420.899 4.585 50 0 HJAARM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)s1 ZINC000008961302 571189716 /nfs/dbraw/zinc/18/97/16/571189716.db2.gz JGNSHISTEWGDJU-UHFFFAOYSA-N -1 0 414.508 4.778 50 0 HJAARM Cc1cc(C)cc(C[C@H](C(=O)[O-])[C@@H](C)C(=O)Nc2ccc(C)c(Br)c2)c1 ZINC000071405987 571293948 /nfs/dbraw/zinc/29/39/48/571293948.db2.gz CEMHFLMOVGIPSW-QAPCUYQASA-N -1 0 418.331 4.892 50 0 HJAARM Cc1ccc(C[C@H](C(=O)[O-])[C@H](C)C(=O)Nc2ccc(C)c(Br)c2)cc1 ZINC000071405934 571293950 /nfs/dbraw/zinc/29/39/50/571293950.db2.gz QGIOWNHMLJCGGK-YOEHRIQHSA-N -1 0 404.304 4.584 50 0 HJAARM O=C([O-])c1cc(N2CCCCCC2)ccc1NC(=O)c1ccc(Br)cc1 ZINC000045967587 526348624 /nfs/dbraw/zinc/34/86/24/526348624.db2.gz CJPOPOXIKVFWJD-UHFFFAOYSA-N -1 0 417.303 4.780 50 0 HJAARM O=C([O-])c1ccc(N2C(=O)c3n[nH]c(-c4ccccc4)c3[C@H]2c2cccs2)cc1 ZINC000000626686 557022850 /nfs/dbraw/zinc/02/28/50/557022850.db2.gz MROCJNRJYNHDNK-HXUWFJFHSA-N -1 0 401.447 4.586 50 0 HJAARM O=C([O-])c1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1 ZINC000001109074 557181666 /nfs/dbraw/zinc/18/16/66/557181666.db2.gz GPYJSSLQGREJMX-UHFFFAOYSA-N -1 0 401.397 4.629 50 0 HJAARM COc1ccc2nc(NC(=O)c3ccccc3-c3ccccc3C(=O)[O-])sc2c1 ZINC000001121083 557190948 /nfs/dbraw/zinc/19/09/48/557190948.db2.gz PLMXHBWSPZPZJA-UHFFFAOYSA-N -1 0 404.447 4.922 50 0 HJAARM CCc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000001124643 557194372 /nfs/dbraw/zinc/19/43/72/557194372.db2.gz DEKIUGQFNJGLBO-UHFFFAOYSA-N -1 0 414.914 4.956 50 0 HJAARM CC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1cccs1)cc2Br ZINC000001128689 557196935 /nfs/dbraw/zinc/19/69/35/557196935.db2.gz WUTASDSJGDMSIZ-UHFFFAOYSA-N -1 0 414.302 4.569 50 0 HJAARM COc1ccc(-c2nc(Nc3ccc(Br)cc3)sc2CC(=O)[O-])cc1 ZINC000001177838 557228804 /nfs/dbraw/zinc/22/88/04/557228804.db2.gz MNMUOGHAGBOZHS-UHFFFAOYSA-N -1 0 419.300 4.952 50 0 HJAARM O=C([O-])c1cc(Br)ccc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000001216268 557246078 /nfs/dbraw/zinc/24/60/78/557246078.db2.gz UPXKANAEFJRXET-UHFFFAOYSA-N -1 0 410.267 4.918 50 0 HJAARM Cc1oc2cc(O[C@H](C)C(=O)[O-])ccc2c(=O)c1Oc1ccc(Br)cc1 ZINC000002097645 557313423 /nfs/dbraw/zinc/31/34/23/557313423.db2.gz RGKVWWSCABTOOE-LLVKDONJSA-N -1 0 419.227 4.508 50 0 biogenic HJAARM CCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1cccs1)c1ccccc21 ZINC000002184852 557323991 /nfs/dbraw/zinc/32/39/91/557323991.db2.gz KIXAUXPLUIXLCF-UHFFFAOYSA-N -1 0 415.492 4.933 50 0 HJAARM O=C([O-])[C@@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCc2ccccc21 ZINC000002527629 557354635 /nfs/dbraw/zinc/35/46/35/557354635.db2.gz KPLHSCIAHSZYFS-AREMUKBSSA-N -1 0 413.473 4.842 50 0 HJAARM O=C([O-])[C@H](Cc1cccc(Cl)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002567689 557357127 /nfs/dbraw/zinc/35/71/27/557357127.db2.gz UOZAKKJRIKXQPY-QFIPXVFZSA-N -1 0 421.880 4.874 50 0 HJAARM CCOC(=O)c1c(-c2cccc3ccccc32)csc1NC(=O)CCCC(=O)[O-] ZINC000002768027 557382974 /nfs/dbraw/zinc/38/29/74/557382974.db2.gz VAAZSEOKTVGPEO-UHFFFAOYSA-N -1 0 411.479 4.938 50 0 HJAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)c1 ZINC000002858332 557408470 /nfs/dbraw/zinc/40/84/70/557408470.db2.gz VWIAZHXHMJORJA-UHFFFAOYSA-N -1 0 419.886 4.950 50 0 HJAARM CCc1ccc(S(=O)(=O)Nc2cc3c(C(=O)[O-])c(C)oc3c3ccccc23)cc1 ZINC000003237277 557462200 /nfs/dbraw/zinc/46/22/00/557462200.db2.gz SYXKVCNEOYJWTR-UHFFFAOYSA-N -1 0 409.463 4.956 50 0 HJAARM COc1ccc(CCn2c(=O)c3c4c(sc3[n-]c2=S)C[C@@H](C)CC4)cc1OC ZINC000003886690 557502895 /nfs/dbraw/zinc/50/28/95/557502895.db2.gz HHRDLHJFYAYKQB-LBPRGKRZSA-N -1 0 416.568 4.505 50 0 HJAARM CCCc1c(O)c(C(C)=O)ccc1OCCCCOc1ccc(C=CC(=O)[O-])cc1 ZINC000005591529 557663807 /nfs/dbraw/zinc/66/38/07/557663807.db2.gz JLIIYSKMHMMCHU-NTEUORMPSA-N -1 0 412.482 4.883 50 0 HJAARM O=C(Nc1ccc(Cl)cc1)Nc1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000006147119 557691284 /nfs/dbraw/zinc/69/12/84/557691284.db2.gz HPOIRMBDKLZAMR-UHFFFAOYSA-N -1 0 407.904 4.846 50 0 HJAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccn(Cc3c(Cl)cccc3Cl)n2)c1 ZINC000002792203 557764271 /nfs/dbraw/zinc/76/42/71/557764271.db2.gz WVOWTZBPAOKWRE-UHFFFAOYSA-N -1 0 410.326 4.656 50 0 HJAARM O=C([O-])CC1(CNC(=O)Cc2csc(-c3cccc(Cl)c3)n2)CCCCC1 ZINC000020738159 558408393 /nfs/dbraw/zinc/40/83/93/558408393.db2.gz DJHZPFPQCFWWPZ-UHFFFAOYSA-N -1 0 406.935 4.547 50 0 HJAARM O=C([O-])c1ccc2c(c1)nc1n(c2=O)CC/C1=C\c1cccc(OCc2ccccc2)c1 ZINC000012504975 558423767 /nfs/dbraw/zinc/42/37/67/558423767.db2.gz XQQNKZQUJUNYMB-CPNJWEJPSA-N -1 0 424.456 4.618 50 0 HJAARM O=C([N-]c1nnc(SCc2ccccc2F)s1)c1cc(-c2cccs2)on1 ZINC000021524210 558440307 /nfs/dbraw/zinc/44/03/07/558440307.db2.gz HAIBORFJHWMQFT-UHFFFAOYSA-N -1 0 418.500 4.938 50 0 HJAARM CCCC[C@H](CC)[C@@H]1[C@H]2C(=O)N(c3ccccc3C)C([O-])=C2ON1c1ccccc1 ZINC000013757849 558590534 /nfs/dbraw/zinc/59/05/34/558590534.db2.gz ZWVOJGSNYJKDCJ-MKWLTTDUSA-N -1 0 406.526 4.890 50 0 HJAARM CCOc1ccc(-c2cc(C(F)(F)F)c3c(n2)sc2c3[nH]c(=O)cc2[O-])cc1 ZINC000027021314 558668610 /nfs/dbraw/zinc/66/86/10/558668610.db2.gz KJIWZTLRKORUEX-UHFFFAOYSA-N -1 0 406.385 4.928 50 0 HJAARM Cc1ccc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3C(=O)[O-])cc2)cc1C ZINC000003158320 558780437 /nfs/dbraw/zinc/78/04/37/558780437.db2.gz QYHDVWHAJOAKBA-UHFFFAOYSA-N -1 0 406.394 4.954 50 0 HJAARM COc1ccc(C(=O)[O-])cc1NCc1cccc(OC)c1OCc1ccccc1C ZINC000035287249 558789207 /nfs/dbraw/zinc/78/92/07/558789207.db2.gz UOQODHBAVSFBJU-UHFFFAOYSA-N -1 0 407.466 4.902 50 0 HJAARM Cc1cccc(NC(=O)c2c(NC(=O)C[C@H](C)CC(=O)[O-])sc3c2CCCC3)c1 ZINC000017090016 558818558 /nfs/dbraw/zinc/81/85/58/558818558.db2.gz YSQMWJSXOYYNCB-AWEZNQCLSA-N -1 0 414.527 4.627 50 0 HJAARM COC(=O)c1c(NC(=O)CCC(=O)[O-])sc(C)c1-c1ccc(Cl)cc1Cl ZINC000017090494 558819126 /nfs/dbraw/zinc/81/91/26/558819126.db2.gz UCCXWAGMVCNNPW-UHFFFAOYSA-N -1 0 416.282 4.620 50 0 HJAARM CCCCN(CC)c1cc(C(=O)[O-])c2cc(NC(=O)c3ccc(F)cc3)ccc2n1 ZINC000033010232 558829614 /nfs/dbraw/zinc/82/96/14/558829614.db2.gz GOMYCEYDZMNTFP-UHFFFAOYSA-N -1 0 409.461 4.951 50 0 HJAARM Cc1cc(C)cc(C[C@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)[C@H](C)C(=O)[O-])c1 ZINC000004689647 558899282 /nfs/dbraw/zinc/89/92/82/558899282.db2.gz LCZLECYRVQXITQ-KSSFIOAISA-N -1 0 409.404 4.720 50 0 HJAARM Cc1cc(C)cc(C[C@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)[C@@H](C)C(=O)[O-])c1 ZINC000004689644 558899386 /nfs/dbraw/zinc/89/93/86/558899386.db2.gz LCZLECYRVQXITQ-KDOFPFPSSA-N -1 0 409.404 4.720 50 0 HJAARM CCCN(CCC)c1ccc(NS(=O)(=O)c2cc(C)c(C)cc2C)cc1C(=O)[O-] ZINC000033253508 558921741 /nfs/dbraw/zinc/92/17/41/558921741.db2.gz YZHDDDQUMOCFAN-UHFFFAOYSA-N -1 0 418.559 4.737 50 0 HJAARM Cc1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N(CC(C)C)CC(C)C)c1 ZINC000033254019 558922456 /nfs/dbraw/zinc/92/24/56/558922456.db2.gz VYZTXMYVRGLVQG-UHFFFAOYSA-N -1 0 418.559 4.612 50 0 HJAARM COc1cccc([N-]S(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)c1 ZINC000033297759 559047577 /nfs/dbraw/zinc/04/75/77/559047577.db2.gz JWUQIHXDVGVYRP-UHFFFAOYSA-N -1 0 408.570 4.979 50 0 HJAARM Cc1sc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1-c1cc(C(F)(F)F)on1 ZINC000033299338 559049382 /nfs/dbraw/zinc/04/93/82/559049382.db2.gz SQNNGSFYFCWINE-UHFFFAOYSA-N -1 0 420.409 4.979 50 0 HJAARM CCc1nc(-c2cc(S(=O)(=O)[N-]c3cc(F)cc(F)c3)c(C)s2)cs1 ZINC000033308448 559052584 /nfs/dbraw/zinc/05/25/84/559052584.db2.gz GTQYUUKONZDMLR-UHFFFAOYSA-N -1 0 400.497 4.821 50 0 HJAARM Cc1cc(C)cc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccco2)c3=O)c1 ZINC000011409964 559072456 /nfs/dbraw/zinc/07/24/56/559072456.db2.gz OPWQKIAUQAPWOX-UHFFFAOYSA-N -1 0 405.479 4.570 50 0 HJAARM CC(C)(C)OC(=O)N1CC[C@@H](c2cccc(Oc3ccc(F)cc3)c2)[C@H]1C(=O)[O-] ZINC000221037754 559181097 /nfs/dbraw/zinc/18/10/97/559181097.db2.gz ZIVKGLPAHUUWRK-OALUTQOASA-N -1 0 401.434 4.796 50 0 HJAARM CCCCn1c(=O)c(C(=O)Nc2cccc(C(F)(F)F)c2)c([O-])c2ccccc21 ZINC000100534721 559221418 /nfs/dbraw/zinc/22/14/18/559221418.db2.gz YFDRBEIPYJTNHM-UHFFFAOYSA-N -1 0 404.388 4.778 50 0 HJAARM Cc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000005067097 559240063 /nfs/dbraw/zinc/24/00/63/559240063.db2.gz NEVDPLWCQHARSI-UHFFFAOYSA-N -1 0 408.458 4.622 50 0 HJAARM O=C([O-])CC1=C(Nc2ccccc2)C(=O)N(c2ccccc2)[C@H]1c1ccccc1F ZINC000005351281 560569049 /nfs/dbraw/zinc/56/90/49/560569049.db2.gz JECASEIARZIQCF-QHCPKHFHSA-N -1 0 402.425 4.755 50 0 HJAARM CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1cccc(C(=O)[O-])c1 ZINC000005520838 560605206 /nfs/dbraw/zinc/60/52/06/560605206.db2.gz PDFJCAMAIPMAJL-UHFFFAOYSA-N -1 0 404.344 4.872 50 0 HJAARM CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1ccccc1C(=O)[O-] ZINC000005520821 560605227 /nfs/dbraw/zinc/60/52/27/560605227.db2.gz YSZCBPGUQBZIHV-UHFFFAOYSA-N -1 0 404.344 4.872 50 0 HJAARM COc1ccc(O)c([C@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3ccccc3S2)c1 ZINC000005577455 560624865 /nfs/dbraw/zinc/62/48/65/560624865.db2.gz RJXNIEKMQFKMNU-HXUWFJFHSA-N -1 0 409.463 4.726 50 0 biogenic HJAARM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000004826489 560736573 /nfs/dbraw/zinc/73/65/73/560736573.db2.gz SOOAIZBDJIVQCV-SNVBAGLBSA-N -1 0 412.667 4.515 50 0 HJAARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1CCC(=O)Nc1ccccc1 ZINC000101501950 560796598 /nfs/dbraw/zinc/79/65/98/560796598.db2.gz DPXMUGPCZJSWAK-UHFFFAOYSA-N -1 0 404.495 4.581 50 0 HJAARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1CC(=O)Nc1ccc(C)c(C)c1 ZINC000101505393 560796699 /nfs/dbraw/zinc/79/66/99/560796699.db2.gz FQYOUVQJTVKWBQ-UHFFFAOYSA-N -1 0 418.522 4.808 50 0 HJAARM COc1cc(OC)cc([C@@H]2Nc3nonc3N=C3C[C@@H](c4cccs4)CC(=O)C32)c1 ZINC000102743907 560823807 /nfs/dbraw/zinc/82/38/07/560823807.db2.gz HDTJTDAIVPSRKZ-WYRIXSBYSA-N -1 0 424.482 4.777 50 0 HJAARM COc1ccc([C@H]2CC(=O)C3C(=Nc4nonc4N[C@H]3c3ccccc3F)C2)cc1 ZINC000102743243 560823814 /nfs/dbraw/zinc/82/38/14/560823814.db2.gz XFMNQLSYTOGMIV-XCLFUZPHSA-N -1 0 406.417 4.846 50 0 HJAARM COC(=O)c1ccc([C@H]2Nc3nonc3N=C3C[C@H](c4cccs4)CC(=O)C32)cc1 ZINC000102739489 560824774 /nfs/dbraw/zinc/82/47/74/560824774.db2.gz NACDCRJZUCNYNT-SCLBCKFNSA-N -1 0 422.466 4.547 50 0 HJAARM Cc1nc2sc([C@@H](c3ccc(Cl)c(Cl)c3)N3CCC[C@@H](C)C3)c([O-])n2n1 ZINC000102878987 560833533 /nfs/dbraw/zinc/83/35/33/560833533.db2.gz OPVYREZVZZSPSR-MEBBXXQBSA-N -1 0 411.358 4.933 50 0 HJAARM Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4Cl)[C@@H]3C2=O)cc1 ZINC000103079276 560837585 /nfs/dbraw/zinc/83/75/85/560837585.db2.gz CNTPOBMIWIPEHC-BHDDXSALSA-N -1 0 418.880 4.700 50 0 HJAARM O=C([O-])CN(CCc1cccs1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000380902762 568416927 /nfs/dbraw/zinc/41/69/27/568416927.db2.gz UQMYGAFCSPLEKF-UHFFFAOYSA-N -1 0 407.491 4.626 50 0 HJAARM Cc1ccc(C(=O)Nc2ccc(N3CC[C@H](c4ccccc4)C3)c(C(=O)[O-])c2)cc1 ZINC000046053646 568425374 /nfs/dbraw/zinc/42/53/74/568425374.db2.gz XOJQJSPQSJTZKT-FQEVSTJZSA-N -1 0 400.478 4.939 50 0 HJAARM CC(C)(C)n1ncc2c1NC(=O)C[C@@H]2c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000049549395 568451831 /nfs/dbraw/zinc/45/18/31/568451831.db2.gz RFEHVYRMBICXCB-LBPRGKRZSA-N -1 0 413.861 4.724 50 0 HJAARM C=CCOc1c(Br)cc(C=NNc2ccc(C(=O)[O-])cc2)cc1OCC ZINC000008399702 568466165 /nfs/dbraw/zinc/46/61/65/568466165.db2.gz VHZBDPMZKBVGLS-UHFFFAOYSA-N -1 0 419.275 4.557 50 0 aggregator HJAARM COc1ccc(-c2[nH]nc3nc(-c4cccc(Br)c4)cc(C(=O)[O-])c32)cc1 ZINC000020904215 568650622 /nfs/dbraw/zinc/65/06/22/568650622.db2.gz HPWVIHIGKFUSPT-UHFFFAOYSA-N -1 0 424.254 4.761 50 0 HJAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000020977794 568654062 /nfs/dbraw/zinc/65/40/62/568654062.db2.gz WQVCWJFAFRQEIB-UHFFFAOYSA-N -1 0 418.418 4.621 50 0 HJAARM O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)CC3 ZINC000020987659 568655208 /nfs/dbraw/zinc/65/52/08/568655208.db2.gz HARPGBOOZWPRSU-SDNWHVSQSA-N -1 0 418.836 4.952 50 0 HJAARM Cc1cc(C(F)F)nn1[C@@H](C)c1nnc([N-]c2ccn(Cc3ccccc3)n2)s1 ZINC000002731302 568804829 /nfs/dbraw/zinc/80/48/29/568804829.db2.gz VJUMWBYFMPMHGE-ZDUSSCGKSA-N -1 0 415.473 4.578 50 0 HJAARM C[C@H]1CCCC[C@@H]1NC(=O)C1CCC(Cn2c(=O)c3sccc3[n-]c2=S)CC1 ZINC000002925602 568817455 /nfs/dbraw/zinc/81/74/55/568817455.db2.gz XCXKJLOEFBJUCG-LBDPXKHJSA-N -1 0 419.616 4.622 50 0 HJAARM Cc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1 ZINC000003635592 568921542 /nfs/dbraw/zinc/92/15/42/568921542.db2.gz NJOKIBVRPPZRIW-UHFFFAOYSA-N -1 0 417.490 4.596 50 0 HJAARM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2)ccc1Cl ZINC000000837406 568968838 /nfs/dbraw/zinc/96/88/38/568968838.db2.gz NVDOHLBCACUBHB-UHFFFAOYSA-N -1 0 400.887 4.702 50 0 HJAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)cc1C ZINC000085664708 569006581 /nfs/dbraw/zinc/00/65/81/569006581.db2.gz FNAYOUAMIATIBA-UHFFFAOYSA-N -1 0 401.435 4.575 50 0 HJAARM Cc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1Cl ZINC000006146766 569014490 /nfs/dbraw/zinc/01/44/90/569014490.db2.gz HRISNVFAFZIDDU-UHFFFAOYSA-N -1 0 418.877 4.841 50 0 HJAARM COC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)CCC(=O)[O-] ZINC000006179762 569019888 /nfs/dbraw/zinc/01/98/88/569019888.db2.gz BUSJNWYCLYDELO-UHFFFAOYSA-N -1 0 409.463 4.672 50 0 HJAARM O=[N+]([O-])c1ccc(-c2cnc(N=NCc3cc(Cl)cc(Cl)c3[O-])nc2)cc1 ZINC000004154733 569030377 /nfs/dbraw/zinc/03/03/77/569030377.db2.gz PKNHLRONKCNNQA-UHFFFAOYSA-N -1 0 404.213 4.510 50 0 HJAARM Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)[N-]c1cccc2c1CCCC2 ZINC000035539475 569043758 /nfs/dbraw/zinc/04/37/58/569043758.db2.gz FPPFOKSOOPRISC-UHFFFAOYSA-N -1 0 415.540 4.664 50 0 HJAARM O=C([O-])c1cccc(N2C(=O)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3C2=O)c1 ZINC000006526486 569063184 /nfs/dbraw/zinc/06/31/84/569063184.db2.gz CASYBDRWTNRQQJ-UHFFFAOYSA-N -1 0 401.462 4.653 50 0 HJAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)cc1C(F)(F)F ZINC000089532555 569069921 /nfs/dbraw/zinc/06/99/21/569069921.db2.gz PAEQDAKYEPFNQN-UHFFFAOYSA-N -1 0 412.389 4.903 50 0 HJAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2cc(F)ccc2F)CC(=O)N3)cc1 ZINC000064797003 569096763 /nfs/dbraw/zinc/09/67/63/569096763.db2.gz TXQUELJWAKYYGE-AWEZNQCLSA-N -1 0 415.417 4.874 50 0 HJAARM C[C@H]1CCCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccc(Br)cc2)C1 ZINC000064820706 569102680 /nfs/dbraw/zinc/10/26/80/569102680.db2.gz JMPTWKQHLUYFEA-ZDUSSCGKSA-N -1 0 417.303 4.636 50 0 HJAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)cc2C)c1 ZINC000064979697 569141146 /nfs/dbraw/zinc/14/11/46/569141146.db2.gz RXAZGKKNWGVGRD-UHFFFAOYSA-N -1 0 416.499 4.557 50 0 HJAARM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000065060300 569164051 /nfs/dbraw/zinc/16/40/51/569164051.db2.gz XQXCSAJFQYEEQM-UHFFFAOYSA-N -1 0 406.504 4.766 50 0 HJAARM Cc1ccc(NC(=O)c2c([O-])c3c4c(sc3[nH]c2=O)CCCCC4)cc1Cl ZINC000065150552 569184964 /nfs/dbraw/zinc/18/49/64/569184964.db2.gz CEBUHPOYQVBMGX-UHFFFAOYSA-N -1 0 402.903 4.778 50 0 HJAARM NC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000017092501 569274728 /nfs/dbraw/zinc/27/47/28/569274728.db2.gz WMPPSSCIMAKQMN-UHFFFAOYSA-N -1 0 420.918 4.531 50 0 HJAARM O=S(=O)([N-]c1ccc(Cl)cc1C(F)(F)F)c1ccc(Br)cc1 ZINC000002850402 569284332 /nfs/dbraw/zinc/28/43/32/569284332.db2.gz BTKJCIHUDMHWAG-UHFFFAOYSA-N -1 0 414.630 4.922 50 0 HJAARM COc1ccc(-c2cc(=O)oc3c(C)c(O[C@H](C(=O)[O-])c4ccccc4)ccc23)cc1 ZINC000002115105 569284497 /nfs/dbraw/zinc/28/44/97/569284497.db2.gz BWTANHLMTGIUBP-DEOSSOPVSA-N -1 0 416.429 4.982 50 0 biogenic HJAARM O=C(Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1)c1cccnc1 ZINC000002210706 569307224 /nfs/dbraw/zinc/30/72/24/569307224.db2.gz LXWRBTKAUFGXAW-UHFFFAOYSA-N -1 0 410.227 4.610 50 0 HJAARM Cc1ccc(C(=O)N/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)[O-])cc1 ZINC000008815562 569390390 /nfs/dbraw/zinc/39/03/90/569390390.db2.gz IONFVDAXKGJXRG-KQWNVCNZSA-N -1 0 423.472 4.703 50 0 HJAARM O=C([O-])c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1 ZINC000002396718 569394424 /nfs/dbraw/zinc/39/44/24/569394424.db2.gz MPYFDCPGUPNQDK-IBGZPJMESA-N -1 0 414.436 4.950 50 0 HJAARM CCOc1ccc([C@@H]2[C@H](C(=O)[O-])c3ccccc3C(=O)N2Cc2ccccc2)cc1 ZINC000013362538 569411925 /nfs/dbraw/zinc/41/19/25/569411925.db2.gz YJFQLOGTNHPUDR-DHIUTWEWSA-N -1 0 401.462 4.651 50 0 HJAARM CCOc1ccc(S(=O)(=O)[N-]c2cnc(Br)cc2C)c2ccccc12 ZINC000079001483 569423445 /nfs/dbraw/zinc/42/34/45/569423445.db2.gz PVIKXTLHOGQFBC-UHFFFAOYSA-N -1 0 421.316 4.505 50 0 HJAARM O=C([O-])c1cc(C2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)no1 ZINC000685939413 571314073 /nfs/dbraw/zinc/31/40/73/571314073.db2.gz WNFBSDXZSCNISZ-UHFFFAOYSA-N -1 0 418.449 4.501 50 0 HJAARM O=C([O-])c1ccccc1N1C(=O)c2cccc3c(C(=O)c4ccccc4)ccc(c32)C1=O ZINC000003292396 132264315 /nfs/dbraw/zinc/26/43/15/132264315.db2.gz FTMANKHBLRORAL-UHFFFAOYSA-N -1 0 421.408 4.570 50 0 HJAARM CCOc1cc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(CC)cc3)n2)ccc1O ZINC000020492383 520611477 /nfs/dbraw/zinc/61/14/77/520611477.db2.gz ZASQVWRBMRKWHY-UHFFFAOYSA-N -1 0 403.438 4.657 50 0 HJAARM O=C([O-])c1sc2c(c1-c1ccc(Cl)cc1)NC(=O)C[C@@]21C(=O)Nc2ccccc21 ZINC000032092622 526411878 /nfs/dbraw/zinc/41/18/78/526411878.db2.gz LLXZFPGOLUIKKL-NRFANRHFSA-N -1 0 424.865 4.997 50 0 HJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2C)ccc1C ZINC000009282838 557062107 /nfs/dbraw/zinc/06/21/07/557062107.db2.gz IMIJFVZDZDLMMA-UHFFFAOYSA-N -1 0 424.522 4.674 50 0 HJAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)nc1 ZINC000001034003 557148985 /nfs/dbraw/zinc/14/89/85/557148985.db2.gz APBSWLNZEMLWTF-UHFFFAOYSA-N -1 0 402.328 4.843 50 0 HJAARM COc1ccc([C@@H]2[C@H](C(=O)[O-])c3ccccc3C(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000001041572 557153691 /nfs/dbraw/zinc/15/36/91/557153691.db2.gz WJQMZXHQQRBUBD-FGZHOGPDSA-N -1 0 421.880 4.914 50 0 HJAARM O=C([O-])C[C@@H]1Cc2ccccc2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002385836 557342919 /nfs/dbraw/zinc/34/29/19/557342919.db2.gz ZYNHEOMLCMDTDW-IBGZPJMESA-N -1 0 413.473 4.837 50 0 HJAARM CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000004819851 557602283 /nfs/dbraw/zinc/60/22/83/557602283.db2.gz FIIOADBBMNRRFZ-GFCCVEGCSA-N -1 0 406.276 4.678 50 0 HJAARM Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1NC(=O)c1ccc(Cl)cc1 ZINC000004821097 557602890 /nfs/dbraw/zinc/60/28/90/557602890.db2.gz ZOISKPLTSQOPMV-MSOLQXFVSA-N -1 0 414.889 4.730 50 0 HJAARM CCc1cc2c(=O)c(-c3cc4c(cc3C)OCCO4)c(C(F)(F)F)oc2cc1[O-] ZINC000005667174 557667472 /nfs/dbraw/zinc/66/74/72/557667472.db2.gz NSOIAKTUHGHIGT-UHFFFAOYSA-N -1 0 406.356 4.826 50 0 HJAARM [O-]c1c([C@H](c2ccccc2Cl)N2CCCC2)sc2nc(-c3ccco3)nn12 ZINC000022851830 557839561 /nfs/dbraw/zinc/83/95/61/557839561.db2.gz YFXGJNMYRPAQCK-HNNXBMFYSA-N -1 0 400.891 4.595 50 0 HJAARM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccco4)c3[C@H]2c2cccs2)cc1 ZINC000009679547 557848358 /nfs/dbraw/zinc/84/83/58/557848358.db2.gz POHKKJOJPVCJCW-HXUWFJFHSA-N -1 0 419.462 4.658 50 0 HJAARM O=S(=O)(C=C([O-])c1ccc([C@H]2CC2(Cl)Cl)cc1)c1ccc(Cl)cc1 ZINC000019822841 558290823 /nfs/dbraw/zinc/29/08/23/558290823.db2.gz MYOFGYCHCLJEHS-OAHLLOKOSA-N -1 0 403.714 4.658 50 0 HJAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2nc(-c3ccc(O)cc3)cc(C(F)(F)F)c12 ZINC000020604417 558386857 /nfs/dbraw/zinc/38/68/57/558386857.db2.gz IRSKAGQZHPMSOW-UHFFFAOYSA-N -1 0 413.355 4.819 50 0 HJAARM Cc1nn(-c2ccc(F)cc2)c2nc(-c3ccc(OC(F)F)cc3)cc(C(=O)[O-])c12 ZINC000012396193 558397207 /nfs/dbraw/zinc/39/72/07/558397207.db2.gz ZKSBITPJFCRULS-UHFFFAOYSA-N -1 0 413.355 4.835 50 0 HJAARM CCCC[C@H](CC)[C@@H]1[C@H]2C(=O)N(c3ccc(C)cc3)C([O-])=C2ON1c1ccccc1 ZINC000013752262 558590138 /nfs/dbraw/zinc/59/01/38/558590138.db2.gz NJBXYNKCLWDUAR-MKWLTTDUSA-N -1 0 406.526 4.890 50 0 HJAARM CCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000004580598 558766741 /nfs/dbraw/zinc/76/67/41/558766741.db2.gz CBZANZBYNIJPQW-HNNXBMFYSA-N -1 0 403.887 4.899 50 0 HJAARM CCOC(=O)c1c(NC(=O)c2ccccc2C(=O)[O-])sc(C)c1-c1ccccc1 ZINC000002451691 558776564 /nfs/dbraw/zinc/77/65/64/558776564.db2.gz SUYJWICEDLQOHI-UHFFFAOYSA-N -1 0 409.463 4.851 50 0 HJAARM Cc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1NC(=O)c1ccc(Cl)cc1 ZINC000004820700 558781013 /nfs/dbraw/zinc/78/10/13/558781013.db2.gz QYBUMPKJXKRXIB-QZTJIDSGSA-N -1 0 412.873 4.506 50 0 HJAARM COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1c(C)nn(-c2ccccc2)c1C ZINC000017089649 558818301 /nfs/dbraw/zinc/81/83/01/558818301.db2.gz UQPOJDKFGMEAQX-UHFFFAOYSA-N -1 0 413.543 4.596 50 0 HJAARM CCn1c2ccccc2nc1CCc1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000033116543 558877635 /nfs/dbraw/zinc/87/76/35/558877635.db2.gz AHZDHSBZDMVKLU-UHFFFAOYSA-N -1 0 411.552 4.704 50 0 HJAARM CCc1cc(-c2csc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)c2)on1 ZINC000033169540 558902938 /nfs/dbraw/zinc/90/29/38/558902938.db2.gz QVGJBMUTTKDVST-UHFFFAOYSA-N -1 0 402.419 4.785 50 0 HJAARM Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000033299298 559049288 /nfs/dbraw/zinc/04/92/88/559049288.db2.gz RTENEUKKJJNNFM-UHFFFAOYSA-N -1 0 402.419 4.840 50 0 HJAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccccc1-c1nc(-c2ccccc2)no1 ZINC000033307004 559051896 /nfs/dbraw/zinc/05/18/96/559051896.db2.gz GATPVJSUXFRORJ-UHFFFAOYSA-N -1 0 421.478 4.603 50 0 HJAARM O=S(=O)([N-]c1ccc(F)cc1C(F)(F)F)c1ccc(Br)c(F)c1 ZINC000095067956 559079305 /nfs/dbraw/zinc/07/93/05/559079305.db2.gz BTFYPVQLUCPFBD-UHFFFAOYSA-N -1 0 416.165 4.547 50 0 HJAARM Cc1ccccc1Cc1c(C)nc2[n-]c(SCc3ccc(Cl)cc3)nn2c1=O ZINC000100133801 559130221 /nfs/dbraw/zinc/13/02/21/559130221.db2.gz HNCOPZLWUMGPQS-UHFFFAOYSA-N -1 0 410.930 4.571 50 0 HJAARM CCc1nnsc1C(=O)[N-]c1c2ccccc2oc1C(=O)Nc1ccc(C)cc1 ZINC000004941912 559213284 /nfs/dbraw/zinc/21/32/84/559213284.db2.gz OSCWZFRYQOLVAR-UHFFFAOYSA-N -1 0 406.467 4.660 50 0 HJAARM CC(C)CN(CC(C)C)C(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)[O-] ZINC000004952114 559215936 /nfs/dbraw/zinc/21/59/36/559215936.db2.gz WEHGXEFRQQZVBQ-SNDHGLFQSA-N -1 0 405.538 4.735 50 0 HJAARM O=C([O-])c1cnc2c(cccc2C(F)(F)F)c1Nc1ccc(N2CCOCC2)cc1 ZINC000005009082 559226767 /nfs/dbraw/zinc/22/67/67/559226767.db2.gz KWGQDSBEOIVMSA-UHFFFAOYSA-N -1 0 417.387 4.532 50 0 HJAARM Cc1c(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2Cl)cccc1C(=O)[O-] ZINC000004675190 560735953 /nfs/dbraw/zinc/73/59/53/560735953.db2.gz CZTNXFXNUQRYMW-SOFGYWHQSA-N -1 0 409.294 4.526 50 0 HJAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000018195571 560782321 /nfs/dbraw/zinc/78/23/21/560782321.db2.gz QNNHWMHBWTXEDI-KROKWJMESA-N -1 0 403.522 4.580 50 0 HJAARM Cc1ccc(-n2nc3c4cc(C(=O)Nc5cc(C)cc(C)c5)ccc4[n-]cc-3c2=O)cc1 ZINC000101828179 560802671 /nfs/dbraw/zinc/80/26/71/560802671.db2.gz PHGIUGNQPJCFNA-UHFFFAOYSA-N -1 0 422.488 4.996 50 0 HJAARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1CC(=O)Nc1ccc(F)cc1 ZINC000101831265 560802932 /nfs/dbraw/zinc/80/29/32/560802932.db2.gz VARJXDVENFKIIG-UHFFFAOYSA-N -1 0 422.485 4.639 50 0 HJAARM O=C1C[C@@H](c2cccs2)CC2=Nc3nonc3N[C@H](c3ccc4c(c3)OCCO4)C12 ZINC000102750986 560825498 /nfs/dbraw/zinc/82/54/98/560825498.db2.gz OULKSYCWRVBARL-HXPMCKFVSA-N -1 0 422.466 4.531 50 0 HJAARM Cc1cc([N-]S(=O)(=O)c2ccc(C)cc2)n(-c2cc(C)c3cc(C)cc(C)c3n2)n1 ZINC000012251428 568456212 /nfs/dbraw/zinc/45/62/12/568456212.db2.gz IUCZHBGELIACHZ-UHFFFAOYSA-N -1 0 420.538 4.763 50 0 HJAARM Cc1ccc([C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000221538225 568510056 /nfs/dbraw/zinc/51/00/56/568510056.db2.gz CPAAZTTVXJKSDW-JOCHJYFZSA-N -1 0 401.462 4.702 50 0 HJAARM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)c(Br)c1 ZINC000058365920 568699499 /nfs/dbraw/zinc/69/94/99/568699499.db2.gz VSAYANZJOBGPCU-UHFFFAOYSA-N -1 0 409.330 4.682 50 0 HJAARM O=C([O-])c1ccccc1C(=O)n1c(COc2ccc(Cl)cc2)nc2ccccc21 ZINC000000937525 568751644 /nfs/dbraw/zinc/75/16/44/568751644.db2.gz LKGXWJCYFXMINV-UHFFFAOYSA-N -1 0 406.825 4.655 50 0 HJAARM O=C([O-])CC1=C(Nc2ccc(F)cc2)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000001071224 568765610 /nfs/dbraw/zinc/76/56/10/568765610.db2.gz MNXZLYQUEYRVHG-QHCPKHFHSA-N -1 0 420.415 4.894 50 0 HJAARM O=C(CCCCCn1c(=O)c2sccc2[n-]c1=S)NCc1ccc(Cl)cc1 ZINC000002925564 568817430 /nfs/dbraw/zinc/81/74/30/568817430.db2.gz CFOJWEJFQUXWEY-UHFFFAOYSA-N -1 0 421.975 4.651 50 0 HJAARM O=S(=O)([N-]c1ccccc1C(F)(F)F)c1ccc(Br)cc1Cl ZINC000003357896 568887225 /nfs/dbraw/zinc/88/72/25/568887225.db2.gz YYXRJTSBEMJYFQ-UHFFFAOYSA-N -1 0 414.630 4.922 50 0 HJAARM CCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000263619385 568912379 /nfs/dbraw/zinc/91/23/79/568912379.db2.gz YMPKGXNRTDKQLU-UHFFFAOYSA-N -1 0 419.499 4.840 50 0 HJAARM O=S(=O)([N-]c1cccc(-c2nc3cccnc3s2)c1)c1ccc(Cl)s1 ZINC000004036357 568935613 /nfs/dbraw/zinc/93/56/13/568935613.db2.gz BPVKJBRISJBTPW-UHFFFAOYSA-N -1 0 407.929 4.874 50 0 HJAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)NC1CCCCCCC1 ZINC000006146613 569014483 /nfs/dbraw/zinc/01/44/83/569014483.db2.gz WQCWYLKVOVEASS-UHFFFAOYSA-N -1 0 418.534 4.778 50 0 HJAARM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(-c3noc(C4CCCC4)n3)cs2)c1 ZINC000035557500 569044729 /nfs/dbraw/zinc/04/47/29/569044729.db2.gz KOSULDHSVUKYJY-UHFFFAOYSA-N -1 0 403.529 4.873 50 0 HJAARM Cc1cc(C)c([N-]S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)c(C)c1 ZINC000035557215 569044772 /nfs/dbraw/zinc/04/47/72/569044772.db2.gz NHESLDQIHUXCIL-UHFFFAOYSA-N -1 0 403.529 4.792 50 0 HJAARM O=S(=O)([N-]c1ccc(F)c(F)c1)c1cc(-c2noc(C3CCCC3)n2)cs1 ZINC000035557562 569044861 /nfs/dbraw/zinc/04/48/61/569044861.db2.gz OBNREZIMXUWOJB-UHFFFAOYSA-N -1 0 411.455 4.535 50 0 HJAARM Cc1nn(Cc2ccc(F)cc2)c(C)c1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000006553264 569065506 /nfs/dbraw/zinc/06/55/06/569065506.db2.gz ZEAPXHYSBUOMSN-UHFFFAOYSA-N -1 0 415.534 4.687 50 0 HJAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2ccc(OC)cc2)CC(=O)N3)cc1 ZINC000064796762 569096755 /nfs/dbraw/zinc/09/67/55/569096755.db2.gz IACZPNLPEJVNFO-MRXNPFEDSA-N -1 0 409.463 4.605 50 0 HJAARM O=C([O-])c1ccc(-c2oc3cc4c(cc3c2-c2cc3c(cc2O)OCO3)OCO4)cc1 ZINC000524731119 569212177 /nfs/dbraw/zinc/21/21/77/569212177.db2.gz KRUYUOFOTVJTOJ-UHFFFAOYSA-N -1 0 418.357 4.628 50 0 biogenic HJAARM CCc1ccc2oc(-c3ccc(OC)c(OC)c3)c/c(=N\[C@H](C(=O)[O-])C(C)C)c2c1 ZINC000016873025 569266517 /nfs/dbraw/zinc/26/65/17/569266517.db2.gz PJXWAOOGGCFXNT-UPQSEYGOSA-N -1 0 409.482 4.689 50 0 HJAARM COc1ccc(-c2cc(=O)oc3c(C)c(O[C@@H](C(=O)[O-])c4ccccc4)ccc23)cc1 ZINC000002115107 569284483 /nfs/dbraw/zinc/28/44/83/569284483.db2.gz BWTANHLMTGIUBP-XMMPIXPASA-N -1 0 416.429 4.982 50 0 biogenic HJAARM CCOC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000007615940 569295772 /nfs/dbraw/zinc/29/57/72/569295772.db2.gz WXBWSOXSRSUWFK-UHFFFAOYSA-N -1 0 409.916 4.841 50 0 HJAARM CCOC(=O)c1sc([N-]c2nc(-c3cccs3)cc(C(F)(F)F)n2)nc1C ZINC000002205581 569296316 /nfs/dbraw/zinc/29/63/16/569296316.db2.gz BVMAVOAUIOAPMG-UHFFFAOYSA-N -1 0 414.434 4.909 50 0 HJAARM CCCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(OCC)cc2)c1=O ZINC000002272628 569327482 /nfs/dbraw/zinc/32/74/82/569327482.db2.gz BMSOEAXNVUGHSI-UHFFFAOYSA-N -1 0 408.498 4.938 50 0 HJAARM O=C1C[C@H](c2ccco2)c2c(cc([O-])c3c(=O)c(-c4ccc(Cl)cc4)coc32)O1 ZINC000253401263 569365538 /nfs/dbraw/zinc/36/55/38/569365538.db2.gz FMOCDLDLGLLDDV-CYBMUJFWSA-N -1 0 408.793 4.853 50 0 biogenic HJAARM O=C([O-])c1ccc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccccc5)coc4c32)cc1 ZINC000253403300 569365792 /nfs/dbraw/zinc/36/57/92/569365792.db2.gz HBLQUJLORSYPBO-GOSISDBHSA-N -1 0 412.397 4.599 50 0 biogenic HJAARM CC[C@@]1(C)Cc2ccccc2-c2c1c(=O)n(CCc1ccccc1)c1ncc([S-])n12 ZINC000002439902 569400270 /nfs/dbraw/zinc/40/02/70/569400270.db2.gz GBIKHOAJAFLWEL-VWLOTQADSA-N -1 0 415.562 4.918 50 0 HJAARM Cc1ccc(CN(CC(=O)[O-])Cc2cn(-c3ccccc3)nc2-c2cccs2)cc1 ZINC000008911968 571148293 /nfs/dbraw/zinc/14/82/93/571148293.db2.gz VTFISGWKIVSEPR-UHFFFAOYSA-N -1 0 417.534 4.996 50 0 HJAARM Cn1ccnc1Sc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000009316936 571247627 /nfs/dbraw/zinc/24/76/27/571247627.db2.gz DGASHPDQYLXDJF-UHFFFAOYSA-N -1 0 414.339 4.679 50 0 HJAARM CCCCn1nc([N-]S(=O)(=O)c2ccc(C)cc2)c2cc3cccc(C)c3nc21 ZINC000009348368 571250448 /nfs/dbraw/zinc/25/04/48/571250448.db2.gz HZASDYGLPFQXND-UHFFFAOYSA-N -1 0 408.527 4.802 50 0 HJAARM Cc1cc(C)nc(O[C@@H](C(=O)[O-])C(OCC(C)C)(c2ccccc2)c2ccccc2)n1 ZINC000009514015 571264684 /nfs/dbraw/zinc/26/46/84/571264684.db2.gz BSTDTMTYEAJBGB-QFIPXVFZSA-N -1 0 420.509 4.542 50 0 HJAARM CCOC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1ccc(C)c(C)c1 ZINC000009646473 571276473 /nfs/dbraw/zinc/27/64/73/571276473.db2.gz AVKXWQCWVIQPND-UHFFFAOYSA-N -1 0 407.488 4.635 50 0 HJAARM O=C([O-])[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1ccc(Cl)cc1 ZINC000035141938 571313736 /nfs/dbraw/zinc/31/37/36/571313736.db2.gz DPTCLRJHFXYMSW-GFCCVEGCSA-N -1 0 401.768 4.511 50 0 HJAARM O=C([O-])c1ccc2c(c1)CCN(C(=O)OCC1c3ccccc3-c3ccccc31)CC2 ZINC000328596990 571317336 /nfs/dbraw/zinc/31/73/36/571317336.db2.gz CFNKRXFLJGSGOL-UHFFFAOYSA-N -1 0 413.473 4.735 50 0 HJAARM Cc1noc(-c2csc(S(=O)(=O)[N-]c3ccccc3C(F)(F)F)c2)c1C ZINC000044892741 526457737 /nfs/dbraw/zinc/45/77/37/526457737.db2.gz AQEXQRSBPYNIOX-UHFFFAOYSA-N -1 0 402.419 4.840 50 0 HJAARM Cc1c([O-])c(Br)c(Br)c(Br)c1Br ZINC000000608306 557018985 /nfs/dbraw/zinc/01/89/85/557018985.db2.gz GGIDUULRWQOXLR-UHFFFAOYSA-N -1 0 423.724 4.751 50 0 HJAARM Cc1nc2sc([C@H](c3ccc(Cl)c(Cl)c3)N3CCC[C@H](C)C3)c([O-])n2n1 ZINC000022626108 557079100 /nfs/dbraw/zinc/07/91/00/557079100.db2.gz OPVYREZVZZSPSR-BONVTDFDSA-N -1 0 411.358 4.933 50 0 HJAARM Cc1nc2sc([C@H](c3ccc(Cl)c(Cl)c3)N3CCC(C)CC3)c([O-])n2n1 ZINC000022626181 557080752 /nfs/dbraw/zinc/08/07/52/557080752.db2.gz QADZDUKJEDHMNL-HNNXBMFYSA-N -1 0 411.358 4.933 50 0 HJAARM Cc1noc(C)c1S(=O)(=O)[N-]c1csc(C(F)(F)F)c1-c1ccccc1 ZINC000001039669 557152634 /nfs/dbraw/zinc/15/26/34/557152634.db2.gz QDFJKOPMNDKPKS-UHFFFAOYSA-N -1 0 402.419 4.840 50 0 HJAARM O=S(=O)([N-]c1ncccc1OCc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000001043443 557154621 /nfs/dbraw/zinc/15/46/21/557154621.db2.gz IOMYMLBLCBGLGW-UHFFFAOYSA-N -1 0 409.294 4.768 50 0 HJAARM COc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(Br)cc1C ZINC000001063537 557165334 /nfs/dbraw/zinc/16/53/34/557165334.db2.gz VUBIQFARQHOFGE-UHFFFAOYSA-N -1 0 412.349 4.864 50 0 HJAARM O=C([O-])c1cc(NC(=O)/C=C/c2ccccc2)cc(NC(=O)/C=C/c2ccccc2)c1 ZINC000001233561 557250096 /nfs/dbraw/zinc/25/00/96/557250096.db2.gz VQQRONMQSLHUDQ-PHEQNACWSA-N -1 0 412.445 4.689 50 0 HJAARM Cc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccs2)cc1F ZINC000002328909 557337737 /nfs/dbraw/zinc/33/77/37/557337737.db2.gz MTGSGDJTLKRBPG-UHFFFAOYSA-N -1 0 414.487 4.683 50 0 HJAARM Cc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000002383530 557342634 /nfs/dbraw/zinc/34/26/34/557342634.db2.gz NGNPRMCWPCMTGR-UHFFFAOYSA-N -1 0 408.458 4.622 50 0 HJAARM COc1ccc(CCn2c(=O)c3c4c(sc3[n-]c2=S)C[C@H](C)CC4)cc1OC ZINC000003886689 557502931 /nfs/dbraw/zinc/50/29/31/557502931.db2.gz HHRDLHJFYAYKQB-GFCCVEGCSA-N -1 0 416.568 4.505 50 0 HJAARM Cc1cccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])c1 ZINC000004208803 557528882 /nfs/dbraw/zinc/52/88/82/557528882.db2.gz NJXPSSISZLAXRE-QHCPKHFHSA-N -1 0 401.462 4.529 50 0 HJAARM COc1ccc(Oc2ccc(C(F)(F)F)c(NC(=O)[C@H]3CC[C@@H]3C(=O)[O-])c2)cc1 ZINC000004324275 557541355 /nfs/dbraw/zinc/54/13/55/557541355.db2.gz RIZPTYIKLAAVSJ-GJZGRUSLSA-N -1 0 409.360 4.556 50 0 HJAARM C[C@@H]1CCCCN1C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000005681197 557668623 /nfs/dbraw/zinc/66/86/23/557668623.db2.gz CHHFDDRACRCMEZ-QGZVFWFLSA-N -1 0 408.523 4.655 50 0 HJAARM Cc1nn(Cc2ccccc2F)c(C)c1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000002782447 557758767 /nfs/dbraw/zinc/75/87/67/557758767.db2.gz NWPGENHLHMKFSJ-UHFFFAOYSA-N -1 0 409.486 4.641 50 0 HJAARM COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000002767825 557760173 /nfs/dbraw/zinc/76/01/73/557760173.db2.gz OENBRSLSVSGSTI-HZPDHXFCSA-N -1 0 415.511 4.648 50 0 HJAARM O=C([O-])c1ccc(NC(=O)c2cccc(NC(=O)CSCc3ccccc3)c2)cc1 ZINC000008417777 557787468 /nfs/dbraw/zinc/78/74/68/557787468.db2.gz IDGDUJNVSMYZCH-UHFFFAOYSA-N -1 0 420.490 4.509 50 0 HJAARM Cc1ccc(CCC(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)[O-])c2)cc1 ZINC000008908634 557813669 /nfs/dbraw/zinc/81/36/69/557813669.db2.gz ZCXUWUPOVDPDPM-UHFFFAOYSA-N -1 0 402.450 4.517 50 0 HJAARM Cc1nc([N-]c2nc3ccccc3o2)ncc1C(=O)Nc1ccccc1C(F)(F)F ZINC000008974656 557817089 /nfs/dbraw/zinc/81/70/89/557817089.db2.gz NFUVKINFNJQJER-UHFFFAOYSA-N -1 0 413.359 4.941 50 0 HJAARM CCOc1cccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(CC)cc3)n2)c1O ZINC000020492327 558378529 /nfs/dbraw/zinc/37/85/29/558378529.db2.gz URFWYUBRJLDDGN-UHFFFAOYSA-N -1 0 403.438 4.657 50 0 HJAARM CC(C)c1cc(C(=O)Nc2ccccc2)c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])s1 ZINC000017089212 558817914 /nfs/dbraw/zinc/81/79/14/558817914.db2.gz HVBOIAVSULWUQH-JKSUJKDBSA-N -1 0 412.511 4.729 50 0 HJAARM CCc1ccc(NC(=O)c2c(NC(=O)CCCC(=O)[O-])sc3c2CCCC3)cc1 ZINC000017090034 558818730 /nfs/dbraw/zinc/81/87/30/558818730.db2.gz UNSULKKWFFHXFL-UHFFFAOYSA-N -1 0 414.527 4.635 50 0 HJAARM COc1ccc(OC)c(-c2cc(C(F)(F)F)c3c(n2)sc2c3[nH]c(=O)cc2[O-])c1 ZINC000017723520 558827784 /nfs/dbraw/zinc/82/77/84/558827784.db2.gz YRQAAFSLEDBOMM-UHFFFAOYSA-N -1 0 422.384 4.546 50 0 HJAARM Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000033173779 558902033 /nfs/dbraw/zinc/90/20/33/558902033.db2.gz ZYQROMJQEIBMFH-UHFFFAOYSA-N -1 0 421.853 4.920 50 0 HJAARM CCCCN(C)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000033253850 558921932 /nfs/dbraw/zinc/92/19/32/558921932.db2.gz IKUKVVYEAGVMBX-UHFFFAOYSA-N -1 0 418.559 4.620 50 0 HJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cccc(F)c2)cc1 ZINC000004785568 559063788 /nfs/dbraw/zinc/06/37/88/559063788.db2.gz XHQUDTDIWATJQH-UHFFFAOYSA-N -1 0 408.458 4.622 50 0 HJAARM O=S(=O)([N-]c1ccc(F)c(C(F)(F)F)c1)c1ccc(Br)cc1F ZINC000096171259 559100934 /nfs/dbraw/zinc/10/09/34/559100934.db2.gz DGDQTOUSCDEPLK-UHFFFAOYSA-N -1 0 416.165 4.547 50 0 HJAARM CCc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC000005021687 559229340 /nfs/dbraw/zinc/22/93/40/559229340.db2.gz XEDRAZBYBSXRPS-UHFFFAOYSA-N -1 0 404.495 4.737 50 0 HJAARM Cc1csc2nc(-c3cccc([N-]S(=O)(=O)c4ccc(Cl)s4)c3)cn12 ZINC000005084029 559242312 /nfs/dbraw/zinc/24/23/12/559242312.db2.gz CCHMQXOIAKXJSI-UHFFFAOYSA-N -1 0 409.945 4.887 50 0 HJAARM CCCCOc1ccc(C(=O)NCc2n[n-]c(=S)n2-c2cccc(Cl)c2)cc1 ZINC000005128718 559249044 /nfs/dbraw/zinc/24/90/44/559249044.db2.gz AKRRIIAHDISWFQ-UHFFFAOYSA-N -1 0 416.934 4.692 50 0 HJAARM O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000136631471 559277838 /nfs/dbraw/zinc/27/78/38/559277838.db2.gz NZKIFBJQPKELTR-PWRODBHTSA-N -1 0 422.843 4.530 50 0 HJAARM O=C([O-])[C@H]1CCCN1c1nc(-c2ccc(Cl)c(Cl)c2)cc(C(F)(F)F)n1 ZINC000008783277 560210881 /nfs/dbraw/zinc/21/08/81/560210881.db2.gz ZLTJKENLHFHCGO-GFCCVEGCSA-N -1 0 406.191 4.523 50 0 biogenic,in-vitro HJAARM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1N1CCCCC1=O ZINC000005329862 560565531 /nfs/dbraw/zinc/56/55/31/560565531.db2.gz RBRSKUIGLMGHRP-UHFFFAOYSA-N -1 0 413.326 4.620 50 0 HJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cccc(F)c2)cc1C ZINC000017206603 560703945 /nfs/dbraw/zinc/70/39/45/560703945.db2.gz AWQZTAYMNQNBKN-UHFFFAOYSA-N -1 0 422.485 4.930 50 0 HJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(F)cc2)cc1C ZINC000017206188 560704689 /nfs/dbraw/zinc/70/46/89/560704689.db2.gz MUPJYDUUZCXIMU-UHFFFAOYSA-N -1 0 422.485 4.930 50 0 HJAARM O=c1cc(Cc2ccccc2)nc2c(-c3ccccc3)c(COc3ccccc3)[n-]n21 ZINC000101375255 560793568 /nfs/dbraw/zinc/79/35/68/560793568.db2.gz LNMROXGZDCEELP-UHFFFAOYSA-N -1 0 407.473 4.859 50 0 HJAARM O=C([O-])CCC(=O)N1N=C2/C(=C\c3cccs3)CCC[C@@H]2[C@H]1c1cccs1 ZINC000051329697 560871661 /nfs/dbraw/zinc/87/16/61/560871661.db2.gz OFSWBVKSEHHYTE-AROGIYSDSA-N -1 0 400.525 4.797 50 0 HJAARM C[C@@H]1C[C@@H](C)CN([C@H](c2cccs2)c2sc3nc(-c4ccco4)nn3c2[O-])C1 ZINC000105863155 560877886 /nfs/dbraw/zinc/87/78/86/560877886.db2.gz VQMBSNMKVCWORP-XJKCOSOUSA-N -1 0 414.556 4.885 50 0 HJAARM O=C([O-])C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCC(F)(F)CC1 ZINC000253183996 568416758 /nfs/dbraw/zinc/41/67/58/568416758.db2.gz MWFXVPLXBNBPSU-UHFFFAOYSA-N -1 0 401.409 4.558 50 0 HJAARM O=C([O-])c1cc(Cl)c(Cl)cc1C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000000824804 568499026 /nfs/dbraw/zinc/49/90/26/568499026.db2.gz ZFDYHDUFLHEUAQ-UHFFFAOYSA-N -1 0 401.249 4.930 50 0 HJAARM COc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2c2nc3ccccc3s2)cc1C(=O)[O-] ZINC000225482461 568641870 /nfs/dbraw/zinc/64/18/70/568641870.db2.gz DVYJDRKRDFVGBI-HZPDHXFCSA-N -1 0 424.522 4.593 50 0 HJAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)cc1C ZINC000020977658 568653878 /nfs/dbraw/zinc/65/38/78/568653878.db2.gz OAIASLCXKVCGBD-UHFFFAOYSA-N -1 0 402.419 4.840 50 0 HJAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(-c2cc(C)no2)ccc1C(C)C ZINC000020979019 568654306 /nfs/dbraw/zinc/65/43/06/568654306.db2.gz WISCJGCJNZRANC-UHFFFAOYSA-N -1 0 400.500 4.891 50 0 HJAARM C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(OCC(=O)[O-])cc1 ZINC000685944885 568722761 /nfs/dbraw/zinc/72/27/61/568722761.db2.gz GSTQYTCTNOSAQG-INIZCTEOSA-N -1 0 417.461 4.750 50 0 HJAARM C[C@@H](NC(=O)CCCCCn1c(=O)c2sccc2[n-]c1=S)c1ccccc1 ZINC000002932334 568818515 /nfs/dbraw/zinc/81/85/15/568818515.db2.gz XAHJJEFZRJRJBL-CQSZACIVSA-N -1 0 401.557 4.558 50 0 HJAARM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000012520939 568841404 /nfs/dbraw/zinc/84/14/04/568841404.db2.gz JBBXKEFDNVOLJY-UHFFFAOYSA-N -1 0 404.713 4.529 50 0 HJAARM COC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])sc(C)c1-c1ccc(C)cc1 ZINC000003864231 568868933 /nfs/dbraw/zinc/86/89/33/568868933.db2.gz CYGFQQAUVZUPNV-JKSUJKDBSA-N -1 0 415.511 4.648 50 0 HJAARM Cc1cc(=O)c(C(=O)[O-])c2n1-c1ccc(Cl)cc1S[C@H](c1cccs1)C2 ZINC000299785756 568875375 /nfs/dbraw/zinc/87/53/75/568875375.db2.gz NTHLFROEMJJNKS-KRWDZBQOSA-N -1 0 403.912 4.949 50 0 HJAARM Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)c2cc(Cl)sc2Cl)n1 ZINC000031535236 568927610 /nfs/dbraw/zinc/92/76/10/568927610.db2.gz ANVWVTHOYIYPKA-UHFFFAOYSA-N -1 0 402.328 4.658 50 0 HJAARM O=S(=O)([N-]c1ccc(-c2nc3cccnc3s2)cc1)c1ccc(Cl)s1 ZINC000004036334 568935569 /nfs/dbraw/zinc/93/55/69/568935569.db2.gz QVZKFARLCPMITB-UHFFFAOYSA-N -1 0 407.929 4.874 50 0 aggregator HJAARM O=C([O-])c1cc(-c2cccc(Br)c2)nc2n[nH]c(-c3ccc(F)cc3)c21 ZINC000015677216 568965251 /nfs/dbraw/zinc/96/52/51/568965251.db2.gz MHTITOXIOIFVPA-UHFFFAOYSA-N -1 0 412.218 4.892 50 0 HJAARM CC(C)Cc1ccc([C@@H](C)NC(=O)COc2cc3ccccc3cc2C(=O)[O-])cc1 ZINC000012851732 569010449 /nfs/dbraw/zinc/01/04/49/569010449.db2.gz WCEIQPDZPKGLFE-QGZVFWFLSA-N -1 0 405.494 4.993 50 0 HJAARM CCc1cccc(C)c1NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000006146354 569014520 /nfs/dbraw/zinc/01/45/20/569014520.db2.gz OPGCYCKENKNMBZ-UHFFFAOYSA-N -1 0 400.525 4.672 50 0 HJAARM O=C(Nc1cccc(Cl)c1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006147001 569014608 /nfs/dbraw/zinc/01/46/08/569014608.db2.gz CPNFTRBAOMHASZ-UHFFFAOYSA-N -1 0 404.850 4.532 50 0 HJAARM O=C(Nc1cccc(F)c1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000006214081 569033296 /nfs/dbraw/zinc/03/32/96/569033296.db2.gz IYHHDAZKIJBWJG-UHFFFAOYSA-N -1 0 404.850 4.532 50 0 HJAARM CCOc1ccc(-c2nc(CSc3nc(-c4cccnc4)cc(=O)[nH]3)c(C)o2)cc1 ZINC000035480777 569039343 /nfs/dbraw/zinc/03/93/43/569039343.db2.gz PLPRKQCECMVEDQ-UHFFFAOYSA-N -1 0 420.494 4.899 50 0 HJAARM Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000035539414 569043676 /nfs/dbraw/zinc/04/36/76/569043676.db2.gz FPOXTXRDFUEYGV-UHFFFAOYSA-N -1 0 409.920 4.747 50 0 HJAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(-c2noc(C3CCC3)n2)cs1 ZINC000035557225 569044766 /nfs/dbraw/zinc/04/47/66/569044766.db2.gz JZOJQEMSTKFMLG-UHFFFAOYSA-N -1 0 403.529 4.737 50 0 HJAARM Cc1[n-]n(-c2ccccc2)c(=O)c1SC(F)(F)[C@@](F)(Cl)OC(F)(F)F ZINC000001819657 569056239 /nfs/dbraw/zinc/05/62/39/569056239.db2.gz WUNBXKBWLNWSOT-NSHDSACASA-N -1 0 406.735 4.557 50 0 HJAARM Cc1ccc(S(=O)(=O)[N-]c2ccn(Cc3ccc(Cl)c(Cl)c3)n2)cc1C ZINC000006502370 569061644 /nfs/dbraw/zinc/06/16/44/569061644.db2.gz IAIKZTOUNBHQSR-UHFFFAOYSA-N -1 0 410.326 4.656 50 0 HJAARM Cc1ccc(S(=O)(=O)[N-]P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000002029637 569069067 /nfs/dbraw/zinc/06/90/67/569069067.db2.gz GCMYIKYYGJKGEC-UHFFFAOYSA-N -1 0 403.396 4.539 50 0 HJAARM COc1ccc(OC)c([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(C)cc2)c1 ZINC000064796239 569096469 /nfs/dbraw/zinc/09/64/69/569096469.db2.gz ITQQDPUVJMTYOZ-INIZCTEOSA-N -1 0 423.490 4.913 50 0 HJAARM CCOc1cccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(OC)cc2)c1 ZINC000064796930 569096798 /nfs/dbraw/zinc/09/67/98/569096798.db2.gz BPMQDUVIAXZLLC-KRWDZBQOSA-N -1 0 423.490 4.995 50 0 HJAARM CCn1c2ccccc2c(CC(=O)Nc2ccc(Br)cc2C)c1C(=O)[O-] ZINC000006720672 569098823 /nfs/dbraw/zinc/09/88/23/569098823.db2.gz CDOBHGCKCMQUQC-UHFFFAOYSA-N -1 0 415.287 4.612 50 0 HJAARM COc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000064837386 569105158 /nfs/dbraw/zinc/10/51/58/569105158.db2.gz BXPIYDYVTJAOHN-UHFFFAOYSA-N -1 0 406.891 4.730 50 0 HJAARM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000065060260 569164081 /nfs/dbraw/zinc/16/40/81/569164081.db2.gz DPDHRWMSVZTNDL-UHFFFAOYSA-N -1 0 402.541 4.935 50 0 HJAARM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1ccc(CC)cc1 ZINC000065060239 569164121 /nfs/dbraw/zinc/16/41/21/569164121.db2.gz ACJNTYDODSRHES-UHFFFAOYSA-N -1 0 402.541 4.880 50 0 HJAARM O=C(Nc1cc(Cl)ccc1Cl)c1c(=O)[nH]c2sc3c(c2c1[O-])CCCC3 ZINC000065150351 569184891 /nfs/dbraw/zinc/18/48/91/569184891.db2.gz XTGVZAIXAXERAR-UHFFFAOYSA-N -1 0 409.294 4.733 50 0 HJAARM N#Cc1ccccc1Oc1ccc(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)cc1 ZINC000170619540 569248348 /nfs/dbraw/zinc/24/83/48/569248348.db2.gz ATIVTEAIWRJXRU-UHFFFAOYSA-N -1 0 412.445 4.549 50 0 HJAARM CCCCCn1c(=O)c2ccc(C(=O)Nc3ccc4c(c3)CCC4)cc2[n-]c1=S ZINC000003631152 569321235 /nfs/dbraw/zinc/32/12/35/569321235.db2.gz VTECBEVIXHLCGP-UHFFFAOYSA-N -1 0 407.539 4.990 50 0 HJAARM O=S(=O)([N-]c1nc2ccccc2nc1NCc1ccccc1)c1cccc(Cl)c1 ZINC000002377286 569389618 /nfs/dbraw/zinc/38/96/18/569389618.db2.gz MRGOTPSKIMYTFI-UHFFFAOYSA-N -1 0 424.913 4.696 50 0 HJAARM CCc1nc2c3ccccc3oc2c(N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])n1 ZINC000002436654 569399757 /nfs/dbraw/zinc/39/97/57/569399757.db2.gz JDZMPZXPUIBOHN-KRWDZBQOSA-N -1 0 400.438 4.528 50 0 HJAARM O=C(c1cccc([N-]S(=O)(=O)c2cccs2)c1)N1CCC[C@H]1c1ccsc1 ZINC000040154677 571201766 /nfs/dbraw/zinc/20/17/66/571201766.db2.gz LTNVARRZQCIOAB-KRWDZBQOSA-N -1 0 418.565 4.588 50 0 HJAARM CCOC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000009646428 571276411 /nfs/dbraw/zinc/27/64/11/571276411.db2.gz AUCPIZUGOJOTES-UHFFFAOYSA-N -1 0 413.879 4.671 50 0 HJAARM CCOC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1cc(C)ccc1C ZINC000009646478 571276483 /nfs/dbraw/zinc/27/64/83/571276483.db2.gz UZYQGBSVJKMHJD-UHFFFAOYSA-N -1 0 407.488 4.635 50 0 HJAARM Cc1ccc(C[C@H](C(=O)[O-])[C@@H](C)C(=O)Nc2ccc(C)c(Br)c2)cc1 ZINC000071405932 571293797 /nfs/dbraw/zinc/29/37/97/571293797.db2.gz QGIOWNHMLJCGGK-PBHICJAKSA-N -1 0 404.304 4.584 50 0 HJAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2NC(=O)c2ccco2)c1 ZINC000032098247 524194677 /nfs/dbraw/zinc/19/46/77/524194677.db2.gz OSGVJNJDERHFCR-UHFFFAOYSA-N -1 0 404.875 4.603 50 0 HJAARM Cc1cc(C)nc([N-]c2nc(C(=O)Nc3ccc(Br)cc3C)cs2)n1 ZINC000056924608 524593896 /nfs/dbraw/zinc/59/38/96/524593896.db2.gz IMINFKDSSDEVAF-UHFFFAOYSA-N -1 0 418.320 4.617 50 0 HJAARM O=S(=O)([N-]c1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1cc(Cl)ccc1Cl ZINC000044892154 527252017 /nfs/dbraw/zinc/25/20/17/527252017.db2.gz FFTOAGUSWOPZDF-HNNXBMFYSA-N -1 0 412.298 4.522 50 0 HJAARM O=C([O-])CCCn1c2c(c(=S)nc1-c1ccc(Br)cc1)CCCC2 ZINC000000935526 557120550 /nfs/dbraw/zinc/12/05/50/557120550.db2.gz BHTQJDVWTCQBTE-UHFFFAOYSA-N -1 0 407.333 4.786 50 0 HJAARM Cc1c(Cl)cccc1NC(=O)[C@@H](CC(=O)[O-])Cc1ccc(Br)cc1 ZINC000000985971 557132194 /nfs/dbraw/zinc/13/21/94/557132194.db2.gz AUVBUFDKWOZIFH-CYBMUJFWSA-N -1 0 410.695 4.683 50 0 HJAARM O=C([O-])c1ccccc1C(=O)N(Cc1cccnc1)Cc1ccc(Cl)cc1Cl ZINC000001042889 557154389 /nfs/dbraw/zinc/15/43/89/557154389.db2.gz PNAGYTNKBPIPIV-UHFFFAOYSA-N -1 0 415.276 4.929 50 0 HJAARM CC(C)c1cc(C(C)C)c(S(=O)(=O)[N-]c2ccccc2C(N)=O)c(C(C)C)c1 ZINC000001217911 557247183 /nfs/dbraw/zinc/24/71/83/557247183.db2.gz RVJPQSGPVKDYLL-UHFFFAOYSA-N -1 0 402.560 4.957 50 0 HJAARM CC(C)(c1ccccc1)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002392343 557343756 /nfs/dbraw/zinc/34/37/56/557343756.db2.gz UVRGBXSOQUZHII-HSZRJFAPSA-N -1 0 415.489 4.956 50 0 HJAARM O=C([O-])C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)cc1 ZINC000002585885 557358644 /nfs/dbraw/zinc/35/86/44/557358644.db2.gz PQXRHKBSMBRBBW-QFIPXVFZSA-N -1 0 405.425 4.880 50 0 HJAARM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c(Cl)cc1Cl ZINC000002726914 557371080 /nfs/dbraw/zinc/37/10/80/557371080.db2.gz VWUPXHXLCWCHQI-UHFFFAOYSA-N -1 0 402.299 4.588 50 0 HJAARM CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])cc1 ZINC000002850478 557404162 /nfs/dbraw/zinc/40/41/62/557404162.db2.gz GEQSWOLYVJHJDI-UHFFFAOYSA-N -1 0 416.477 4.832 50 0 HJAARM Cc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000004208806 557528866 /nfs/dbraw/zinc/52/88/66/557528866.db2.gz UXLHLZHGQPDMJQ-QHCPKHFHSA-N -1 0 401.462 4.529 50 0 HJAARM Oc1ccc(Br)c([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)c1 ZINC000005739402 557672132 /nfs/dbraw/zinc/67/21/32/557672132.db2.gz UURPCKVFPOVUCN-PXNSSMCTSA-N -1 0 411.255 4.990 50 0 HJAARM COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000002767824 557759868 /nfs/dbraw/zinc/75/98/68/557759868.db2.gz OENBRSLSVSGSTI-JKSUJKDBSA-N -1 0 415.511 4.648 50 0 HJAARM CCOc1ccc(-c2csc(NC(=O)c3cc(C)on3)c2C(=O)OC(C)C)cc1 ZINC000002807523 557767043 /nfs/dbraw/zinc/76/70/43/557767043.db2.gz OOJOIZLGQJNPQW-UHFFFAOYSA-N -1 0 414.483 4.928 50 0 HJAARM COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000008444946 557790118 /nfs/dbraw/zinc/79/01/18/557790118.db2.gz YZGSTEFWUADWRR-ZIAGYGMSSA-N -1 0 421.902 4.685 50 0 HJAARM COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000008444947 557790154 /nfs/dbraw/zinc/79/01/54/557790154.db2.gz YZGSTEFWUADWRR-UONOGXRCSA-N -1 0 421.902 4.685 50 0 HJAARM CCc1nc2sc([C@@H](c3ccco3)N3CCC(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022853864 557840533 /nfs/dbraw/zinc/84/05/33/557840533.db2.gz RSSOWUKWXFXZRB-HXUWFJFHSA-N -1 0 422.554 4.696 50 0 HJAARM CCc1nc2sc([C@@H](c3ccc(C)cc3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000022855071 557842200 /nfs/dbraw/zinc/84/22/00/557842200.db2.gz FXLQCVWIVIACAT-HXUWFJFHSA-N -1 0 404.539 4.515 50 0 HJAARM O=C([O-])[C@@H]1C[C@H](c2ccccc2)CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000014632666 558662395 /nfs/dbraw/zinc/66/23/95/558662395.db2.gz YABZSVAQRSIEAZ-UUOWRZLLSA-N -1 0 413.473 4.878 50 0 HJAARM Cc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1NC(=O)c1ccc(Cl)cc1 ZINC000004820698 558780995 /nfs/dbraw/zinc/78/09/95/558780995.db2.gz QYBUMPKJXKRXIB-MSOLQXFVSA-N -1 0 412.873 4.506 50 0 HJAARM Cc1ccccc1NC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1CCCCC2 ZINC000017089992 558818439 /nfs/dbraw/zinc/81/84/39/558818439.db2.gz DMTJIAPZFCDODZ-UHFFFAOYSA-N -1 0 414.527 4.771 50 0 HJAARM CC[C@@H]1CCc2c(sc(NC(=O)CCCC(=O)[O-])c2C(=O)Nc2ccccc2)C1 ZINC000017090020 558818533 /nfs/dbraw/zinc/81/85/33/558818533.db2.gz MNSUPMPKCFXPAN-CQSZACIVSA-N -1 0 414.527 4.709 50 0 HJAARM CCc1c(C)sc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1C(=O)Nc1ccccc1 ZINC000017090001 558818574 /nfs/dbraw/zinc/81/85/74/558818574.db2.gz UBECMZUKCDZGFT-SJORKVTESA-N -1 0 414.527 4.701 50 0 HJAARM O=C([O-])C(NC(=O)c1ccccc1)=C1C=C(c2ccccc2)OC(c2ccccc2)=C1 ZINC000013574490 558844936 /nfs/dbraw/zinc/84/49/36/558844936.db2.gz RPCAEQHDNJJIMB-UHFFFAOYSA-N -1 0 409.441 4.868 50 0 HJAARM CCN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C)cc1 ZINC000033253823 558922037 /nfs/dbraw/zinc/92/20/37/558922037.db2.gz PNIARVRPHCWPIW-UHFFFAOYSA-N -1 0 424.522 4.521 50 0 HJAARM CCCN(CCC)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000033253927 558922102 /nfs/dbraw/zinc/92/21/02/558922102.db2.gz PYBHLQOGRACYSB-UHFFFAOYSA-N -1 0 418.559 4.935 50 0 HJAARM COc1cccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)c1 ZINC000065004592 558969277 /nfs/dbraw/zinc/96/92/77/558969277.db2.gz 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CCCCCCn1c(=O)c(C(=O)Nc2ccc(F)c(F)c2)c([O-])c2ccccc21 ZINC000100562552 559226877 /nfs/dbraw/zinc/22/68/77/559226877.db2.gz ZMZSFEHNGPDFMX-UHFFFAOYSA-N -1 0 400.425 4.818 50 0 HJAARM CCOc1ccc(C(=O)C[C@H](Sc2ccc(Br)cc2)C(=O)[O-])cc1 ZINC000005408549 560583597 /nfs/dbraw/zinc/58/35/97/560583597.db2.gz SZFNUOZHMOASOL-KRWDZBQOSA-N -1 0 409.301 4.666 50 0 HJAARM CCOc1ccc(Cn2c(=O)c3sc4ncccc4c3[n-]c2=S)cc1OCC ZINC000101275683 560790330 /nfs/dbraw/zinc/79/03/30/560790330.db2.gz VNQMIJMQWPHDHD-UHFFFAOYSA-N -1 0 413.524 4.514 50 0 HJAARM CCOc1ccc(CCn2c(=O)c3oc4ccccc4c3[n-]c2=S)cc1OCC ZINC000101271443 560790960 /nfs/dbraw/zinc/79/09/60/560790960.db2.gz BTHWMQZDUPUQDV-UHFFFAOYSA-N -1 0 410.495 4.845 50 0 HJAARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1CC(=O)Nc1ccccc1F ZINC000101831271 560802910 /nfs/dbraw/zinc/80/29/10/560802910.db2.gz XBVIWLCMZUPWEG-UHFFFAOYSA-N -1 0 422.485 4.639 50 0 HJAARM Cc1ccc(Cl)cc1NC(=O)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O ZINC000102621850 560818333 /nfs/dbraw/zinc/81/83/33/560818333.db2.gz JAPBZTKLUXYXHK-UHFFFAOYSA-N -1 0 404.853 4.910 50 0 HJAARM C[C@@H]1CCC[C@@H](NC(=O)CCCCCn2c(=O)c3ccccc3[n-]c2=S)[C@H]1C ZINC000104173323 560848980 /nfs/dbraw/zinc/84/89/80/560848980.db2.gz VTWXUZQHWIVEBV-SOLBZPMBSA-N -1 0 401.576 4.560 50 0 HJAARM O=C(/C=C\c1ccccc1)Nc1ccc(C(=O)[O-])c(OC(=O)/C=C\c2ccccc2)c1 ZINC000210103644 560876632 /nfs/dbraw/zinc/87/66/32/560876632.db2.gz WACUVOCWCFTSCS-NFLUSIDLSA-N -1 0 413.429 4.656 50 0 HJAARM CCCCN(C)c1ccc(NC(=O)c2ccc(Br)cc2)cc1C(=O)[O-] ZINC000046053316 568425307 /nfs/dbraw/zinc/42/53/07/568425307.db2.gz DGEBZEJGJJLSOO-UHFFFAOYSA-N -1 0 405.292 4.636 50 0 HJAARM C[C@@H]1CCCN(c2ccc(NC(=O)c3ccc(Br)cc3)cc2C(=O)[O-])C1 ZINC000046053451 568425404 /nfs/dbraw/zinc/42/54/04/568425404.db2.gz NFRQXSCFLUWEIR-CYBMUJFWSA-N -1 0 417.303 4.636 50 0 HJAARM Cc1nn(-c2ccc(F)cc2F)c2c1C(=C([O-])c1cc3ccccc3o1)CC(=O)N2 ZINC000046057172 568426085 /nfs/dbraw/zinc/42/60/85/568426085.db2.gz VWTKJDQPOYRKNP-CQSZACIVSA-N -1 0 407.376 4.514 50 0 HJAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccc(OC(F)F)cc2)C1 ZINC000006561185 568455855 /nfs/dbraw/zinc/45/58/55/568455855.db2.gz UCUIBIWUXLFFGQ-RVDMUPIBSA-N -1 0 410.420 4.911 50 0 HJAARM O=C([O-])[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000000754800 568471871 /nfs/dbraw/zinc/47/18/71/568471871.db2.gz PODMPRCLQNOLFB-UJKMTWAASA-N -1 0 403.865 4.887 50 0 HJAARM CCc1nc2sc([C@@H](c3ccccc3Cl)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000012341915 568483212 /nfs/dbraw/zinc/48/32/12/568483212.db2.gz ILKNPSBKDWVQAQ-LJQANCHMSA-N -1 0 424.957 4.860 50 0 HJAARM O=C([O-])CCC(=O)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 ZINC000033246299 568511868 /nfs/dbraw/zinc/51/18/68/568511868.db2.gz UIZUUVXQIBFHTF-OOKCMDACSA-N -1 0 424.447 4.953 50 0 HJAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3cc(C)no3)ccc2C(C)C)c(OC)c1 ZINC000020978869 568654293 /nfs/dbraw/zinc/65/42/93/568654293.db2.gz XXEQRFWCEWLCIU-UHFFFAOYSA-N -1 0 416.499 4.591 50 0 HJAARM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2cc(F)c(F)c(F)c2)S1 ZINC000096117219 568696725 /nfs/dbraw/zinc/69/67/25/568696725.db2.gz AKPHFWUMNXHGHS-BDJLRTHQSA-N -1 0 411.449 4.610 50 0 HJAARM Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1[N-]S(=O)(=O)c1cccs1 ZINC000002781506 568808560 /nfs/dbraw/zinc/80/85/60/568808560.db2.gz MISSPXJTBYHQBE-UHFFFAOYSA-N -1 0 416.355 4.717 50 0 HJAARM CCCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000005952040 568832001 /nfs/dbraw/zinc/83/20/01/568832001.db2.gz GFBUZDLCXPCTRE-HOTGVXAUSA-N -1 0 413.495 4.587 50 0 HJAARM CCCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000005952038 568832028 /nfs/dbraw/zinc/83/20/28/568832028.db2.gz IQTMGHYLVSRKQO-CVEARBPZSA-N -1 0 415.511 4.811 50 0 HJAARM Cc1ccccc1S(=O)(=O)[N-]c1nc2ccccc2nc1Nc1ccc(F)cc1 ZINC000003220619 568863621 /nfs/dbraw/zinc/86/36/21/568863621.db2.gz DMBNDOXRYHLDQV-UHFFFAOYSA-N -1 0 408.458 4.622 50 0 HJAARM CCCOc1ccc([C@H](CC(=O)[O-])NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000003624342 568864669 /nfs/dbraw/zinc/86/46/69/568864669.db2.gz WQBRCBDDAXIWCS-QHCPKHFHSA-N -1 0 417.505 4.940 50 0 HJAARM O=C([O-])c1sc(-c2ccccc2)cc1NC(=O)c1cc(Cl)c2c(c1)OCCO2 ZINC000012601097 568870134 /nfs/dbraw/zinc/87/01/34/568870134.db2.gz OTGRTFXQMZCCSW-UHFFFAOYSA-N -1 0 415.854 4.790 50 0 HJAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc2ccccc21 ZINC000003278837 568871267 /nfs/dbraw/zinc/87/12/67/568871267.db2.gz NTACYXOEEZXHEM-UHFFFAOYSA-N -1 0 406.301 4.802 50 0 HJAARM Cc1ccc([N-]S(=O)(=O)c2cccn2-c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000001401708 568927406 /nfs/dbraw/zinc/92/74/06/568927406.db2.gz OFJFMONBGWTFJG-UHFFFAOYSA-N -1 0 415.824 4.654 50 0 HJAARM COc1cccc(S(=O)(=O)[N-]c2c3ncn(Cc4ccccc4)c3cc(C)c2C)c1 ZINC000003997432 568931943 /nfs/dbraw/zinc/93/19/43/568931943.db2.gz XBDNPPACSSLYQZ-UHFFFAOYSA-N -1 0 421.522 4.511 50 0 HJAARM CC(C)n1c(/C=C/[C@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c2ccccc21 ZINC000003830864 568933528 /nfs/dbraw/zinc/93/35/28/568933528.db2.gz FJLGEFLZQAZZCD-FUTHQCHMSA-N -1 0 411.473 4.628 50 0 in-man HJAARM Cc1cc(C)cc(C[C@H](C(=O)Nc2ccc(C)c(Br)c2)[C@H](C)C(=O)[O-])c1 ZINC000001423578 568938631 /nfs/dbraw/zinc/93/86/31/568938631.db2.gz PFRJJVCAIFFXBR-YJBOKZPZSA-N -1 0 418.331 4.892 50 0 HJAARM Cc1nc(-n2[n-]c(C)c(Cc3ccccc3)c2=O)sc1C(=O)Nc1ccccc1C ZINC000015671508 568961913 /nfs/dbraw/zinc/96/19/13/568961913.db2.gz YVGDUEQAJWIYCG-UHFFFAOYSA-N -1 0 418.522 4.803 50 0 HJAARM CCc1cc(-c2nc(N)ncc2-c2csc(-c3ccccc3)n2)c(O)cc1OC ZINC000001508857 569007351 /nfs/dbraw/zinc/00/73/51/569007351.db2.gz FCDFYONJBZVAIH-UHFFFAOYSA-N -1 0 404.495 4.793 50 0 HJAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccccc2)c1C ZINC000006146572 569014536 /nfs/dbraw/zinc/01/45/36/569014536.db2.gz WRTMIDIUOGCELL-UHFFFAOYSA-N -1 0 422.550 4.651 50 0 HJAARM O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1cc(-c2noc(C3CCC3)n2)cs1 ZINC000035557259 569044795 /nfs/dbraw/zinc/04/47/95/569044795.db2.gz MTMLLBYSWKGNBE-UHFFFAOYSA-N -1 0 413.883 4.659 50 0 HJAARM Cc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CCCC4)n3)cs2)cc1F ZINC000035557545 569044818 /nfs/dbraw/zinc/04/48/18/569044818.db2.gz ZBFYYBQSGBXTOG-UHFFFAOYSA-N -1 0 407.492 4.704 50 0 HJAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2noc(C3CCCC3)n2)cs1 ZINC000035557559 569044865 /nfs/dbraw/zinc/04/48/65/569044865.db2.gz PANYFZCNZNWRMB-UHFFFAOYSA-N -1 0 419.528 4.655 50 0 HJAARM Cc1ccc(Sc2ccc(S(=O)(=O)Nc3ccc(C(=O)[O-])cc3)cc2)cc1C ZINC000006623424 569075088 /nfs/dbraw/zinc/07/50/88/569075088.db2.gz IXGUEYQEXOKXFJ-UHFFFAOYSA-N -1 0 413.520 4.954 50 0 HJAARM CC(C)Sc1nc2ccc([N-]S(=O)(=O)c3cc(F)cc(F)c3)cc2s1 ZINC000064747846 569089120 /nfs/dbraw/zinc/08/91/20/569089120.db2.gz VFUYICGWTQQDFW-UHFFFAOYSA-N -1 0 400.497 4.876 50 0 HJAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2ccc(F)cc2F)CC(=O)N3)cc1 ZINC000064796997 569096737 /nfs/dbraw/zinc/09/67/37/569096737.db2.gz UONWKSOIFWHBOH-CQSZACIVSA-N -1 0 415.417 4.874 50 0 HJAARM COc1ccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2cc(C)no2)cc1Cl ZINC000064845569 569108126 /nfs/dbraw/zinc/10/81/26/569108126.db2.gz VATILIGLFWYORM-UHFFFAOYSA-N -1 0 412.920 4.791 50 0 HJAARM CCOc1ccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(C)cc3)n2)cc1OC ZINC000006749005 569108848 /nfs/dbraw/zinc/10/88/48/569108848.db2.gz GAKSRMPSMFFLTQ-UHFFFAOYSA-N -1 0 403.438 4.706 50 0 HJAARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3cccc(Br)c3)s2)c1C ZINC000065031391 569157358 /nfs/dbraw/zinc/15/73/58/569157358.db2.gz DWMWGBUUOWACBC-UHFFFAOYSA-N -1 0 413.318 4.583 50 0 HJAARM Cc1cc(Cl)ccc1NC(=O)c1c([O-])c2c3c(sc2[nH]c1=O)C[C@@H](C)CC3 ZINC000065150516 569184999 /nfs/dbraw/zinc/18/49/99/569184999.db2.gz IEMCKFWYVIUFJS-VIFPVBQESA-N -1 0 402.903 4.634 50 0 HJAARM CCc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000095748928 569278853 /nfs/dbraw/zinc/27/88/53/569278853.db2.gz NSAPJLLDBJTIIN-QHCPKHFHSA-N -1 0 401.462 4.913 50 0 HJAARM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Br)c3cccnc23)c(C)c1 ZINC000003832600 569321463 /nfs/dbraw/zinc/32/14/63/569321463.db2.gz NCGJQVHKJAFDRS-UHFFFAOYSA-N -1 0 405.317 4.723 50 0 HJAARM O=C1C[C@@H](c2ccco2)c2c(cc([O-])c3c(=O)c(-c4ccc(Cl)cc4)coc32)O1 ZINC000253401265 569365522 /nfs/dbraw/zinc/36/55/22/569365522.db2.gz FMOCDLDLGLLDDV-ZDUSSCGKSA-N -1 0 408.793 4.853 50 0 biogenic HJAARM CCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000012658723 569402472 /nfs/dbraw/zinc/40/24/72/569402472.db2.gz ZXQPFGVRKHFTFV-MJKYUXSRSA-N -1 0 417.546 4.728 50 0 biogenic HJAARM O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000079111957 569428258 /nfs/dbraw/zinc/42/82/58/569428258.db2.gz KMKZLJUGXDDACE-UHFFFAOYSA-N -1 0 401.394 4.995 50 0 HJAARM Cc1c(C(=O)[O-])sc2nc(CSc3ccccc3)nc(NCc3ccncc3)c12 ZINC000008721134 571107033 /nfs/dbraw/zinc/10/70/33/571107033.db2.gz BGEDWJOJCMXVGI-UHFFFAOYSA-N -1 0 422.535 4.997 50 0 HJAARM COC(=O)c1sccc1Oc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000008782229 571119469 /nfs/dbraw/zinc/11/94/69/571119469.db2.gz AZRKMUAILHEWRW-UHFFFAOYSA-N -1 0 423.899 4.781 50 0 HJAARM CN1c2ccccc2Oc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2C1=O ZINC000008961024 571189419 /nfs/dbraw/zinc/18/94/19/571189419.db2.gz MMDRVIGNXUMVAI-UHFFFAOYSA-N -1 0 414.870 4.523 50 0 HJAARM Cc1ccc2c(c1)NC(=O)c1cc([N-]S(=O)(=O)c3ccccc3Cl)ccc1O2 ZINC000008961273 571189850 /nfs/dbraw/zinc/18/98/50/571189850.db2.gz XNDVCYHZFDJTRL-UHFFFAOYSA-N -1 0 414.870 4.807 50 0 HJAARM Cc1cc(C)cc(C[C@H](C(=O)[O-])[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000071405979 571293931 /nfs/dbraw/zinc/29/39/31/571293931.db2.gz CSJXHFTXPSCDFE-KDOFPFPSSA-N -1 0 409.404 4.720 50 0 HJAARM Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ccccc3C(=O)[O-])C2=O)c(C)c1 ZINC000012651916 132365825 /nfs/dbraw/zinc/36/58/25/132365825.db2.gz ZWBXAJAMCPOEOB-XSFVSMFZSA-N -1 0 412.445 4.642 50 0 HJAARM COc1cc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(Cl)c4)c32)ccc1O ZINC000040268508 522960991 /nfs/dbraw/zinc/96/09/91/522960991.db2.gz YMXQVGYHBCQMIJ-CQSZACIVSA-N -1 0 412.829 4.667 50 0 HJAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3cccc(Cl)c3Cl)C2)cc1 ZINC000225848502 523875205 /nfs/dbraw/zinc/87/52/05/523875205.db2.gz NRIVHJNMNFNXES-QGZVFWFLSA-N -1 0 421.280 4.545 50 0 HJAARM Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCCCCC3)c(C(=O)[O-])c2)cc1C ZINC000032962181 525605191 /nfs/dbraw/zinc/60/51/91/525605191.db2.gz ZLFZDVZFSITHHZ-UHFFFAOYSA-N -1 0 416.543 4.573 50 0 HJAARM CC(C)c1ccc(NC(=O)c2ccccc2NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000000627383 557023572 /nfs/dbraw/zinc/02/35/72/557023572.db2.gz OOQFCMGZQKECHQ-OALUTQOASA-N -1 0 406.482 4.668 50 0 HJAARM O=C([O-])c1ccc(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)cc1O ZINC000000990308 557134274 /nfs/dbraw/zinc/13/42/74/557134274.db2.gz ASCCVBAVMCLCRM-UHFFFAOYSA-N -1 0 421.019 4.505 50 0 HJAARM COc1ccc([C@@H]2[C@@H](C(=O)[O-])c3ccccc3C(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000001041570 557153724 /nfs/dbraw/zinc/15/37/24/557153724.db2.gz WJQMZXHQQRBUBD-FCHUYYIVSA-N -1 0 421.880 4.914 50 0 HJAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC000002585869 557358527 /nfs/dbraw/zinc/35/85/27/557358527.db2.gz GXOCWIPOYXOZAF-QHCPKHFHSA-N -1 0 417.461 4.750 50 0 HJAARM O=C(CF)[N-][C@@H](Nc1cc(C(F)(F)F)ccc1Cl)C(Cl)(Cl)Cl ZINC000003152450 557451846 /nfs/dbraw/zinc/45/18/46/557451846.db2.gz XREQDWIYHVGYHX-SECBINFHSA-N -1 0 402.002 4.553 50 0 HJAARM COC(=O)c1c(-c2cc(C)ccc2C)csc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000003864124 557501642 /nfs/dbraw/zinc/50/16/42/557501642.db2.gz WJGWGNCAMCGDBK-GJZGRUSLSA-N -1 0 415.511 4.648 50 0 HJAARM CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000004179876 557525613 /nfs/dbraw/zinc/52/56/13/557525613.db2.gz RJFSKMAIQNEYCC-LSDHHAIUSA-N -1 0 419.474 4.560 50 0 HJAARM C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(-c4cc(C(=O)[O-])c5ccccc5n4)c3)C(=O)[C@@H]2C1 ZINC000004554353 557566734 /nfs/dbraw/zinc/56/67/34/557566734.db2.gz KRHLFRKHJGTREM-MDASCCDHSA-N -1 0 414.461 4.526 50 0 HJAARM CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(Br)cc2C(=O)[O-])cc1 ZINC000004600292 557571399 /nfs/dbraw/zinc/57/13/99/557571399.db2.gz UWXQYAXWSNBOTL-GFCCVEGCSA-N -1 0 406.276 4.678 50 0 HJAARM CCc1cccc(CC)c1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000004756964 557594143 /nfs/dbraw/zinc/59/41/43/557594143.db2.gz DFKQWKZQOJNQAS-UHFFFAOYSA-N -1 0 408.523 4.865 50 0 HJAARM O=C([O-])c1ccc(CSc2nnc(-c3ccccc3)n2Cc2ccccc2)cc1 ZINC000004844831 557605418 /nfs/dbraw/zinc/60/54/18/557605418.db2.gz JMMYBKOVJPETAI-UHFFFAOYSA-N -1 0 401.491 4.984 50 0 HJAARM CCOc1ccc(NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)[O-])cc1 ZINC000004866487 557608245 /nfs/dbraw/zinc/60/82/45/557608245.db2.gz UTPMGSCJLVZZPD-STTLMXHVSA-N -1 0 413.473 4.632 50 0 HJAARM COc1ccc([C@H]2C(CC(=O)[O-])=C(Nc3ccccc3)C(=O)N2c2ccccc2)cc1 ZINC000005129435 557637604 /nfs/dbraw/zinc/63/76/04/557637604.db2.gz KNSNMUSTAGXHJI-DEOSSOPVSA-N -1 0 414.461 4.624 50 0 HJAARM CCc1cc2c(=O)c(-c3cnn(-c4ccccc4)c3)c(C(F)(F)F)oc2cc1[O-] ZINC000005576013 557662727 /nfs/dbraw/zinc/66/27/27/557662727.db2.gz HRXJKPYRKSAFCM-UHFFFAOYSA-N -1 0 400.356 4.933 50 0 HJAARM O=C([O-])c1cc(Br)c(OCc2ccccc2F)c(Br)c1 ZINC000007604013 557751031 /nfs/dbraw/zinc/75/10/31/557751031.db2.gz BPMFLPDHGSVYIA-UHFFFAOYSA-N -1 0 404.029 4.628 50 0 HJAARM COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000002767827 557760167 /nfs/dbraw/zinc/76/01/67/557760167.db2.gz OENBRSLSVSGSTI-CVEARBPZSA-N -1 0 415.511 4.648 50 0 HJAARM CC(C)(C)c1ccc(C(=O)Nc2ccc(I)c(C(=O)[O-])c2)cc1 ZINC000009287785 557834632 /nfs/dbraw/zinc/83/46/32/557834632.db2.gz GEUMQNGLSIYBLT-UHFFFAOYSA-N -1 0 423.250 4.539 50 0 HJAARM C[C@H]1CCCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(F)cc2)C1 ZINC000022852206 557839837 /nfs/dbraw/zinc/83/98/37/557839837.db2.gz DVIMSPQILAHPRU-GUYCJALGSA-N -1 0 412.490 4.717 50 0 HJAARM C[C@H](C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])C(F)(F)F ZINC000012649452 558443638 /nfs/dbraw/zinc/44/36/38/558443638.db2.gz QITBKIGOBMSJBN-KZULUSFZSA-N -1 0 407.388 4.567 50 0 HJAARM O=C([O-])c1ccc2[nH]c(-c3cc4ccc(OCc5ccccc5)cc4oc3=O)nc2c1 ZINC000004370965 558479993 /nfs/dbraw/zinc/47/99/93/558479993.db2.gz QUIJELDUGVMQOC-UHFFFAOYSA-N -1 0 412.401 4.614 50 0 HJAARM COc1cc2c(cc1NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)oc1ccccc12 ZINC000013253572 558527903 /nfs/dbraw/zinc/52/79/03/558527903.db2.gz XPWGIBNTGKXWIZ-XMMPIXPASA-N -1 0 403.434 4.966 50 0 HJAARM Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(C(=O)[O-])cc1Br ZINC000013316480 558529973 /nfs/dbraw/zinc/52/99/73/558529973.db2.gz MTFSLIXEXHOQEO-JTQLQIEISA-N -1 0 412.667 4.515 50 0 HJAARM COc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)cc1OC ZINC000015081442 558719089 /nfs/dbraw/zinc/71/90/89/558719089.db2.gz IOMIPAVIYYEXFK-AWEZNQCLSA-N -1 0 409.463 4.605 50 0 HJAARM COc1ccc(OC)c([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)c1 ZINC000015081454 558719135 /nfs/dbraw/zinc/71/91/35/558719135.db2.gz MYWKOYQMHDTZBB-HNNXBMFYSA-N -1 0 409.463 4.605 50 0 HJAARM C[C@H](OC(C)(C)C)[C@@H](C(=O)[O-])N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000038138674 558810749 /nfs/dbraw/zinc/81/07/49/558810749.db2.gz VIUVLZHFMIFLHU-BTYIYWSLSA-N -1 0 411.498 4.524 50 0 HJAARM O=C([O-])CCCC(=O)Nc1sccc1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000017082134 558814179 /nfs/dbraw/zinc/81/41/79/558814179.db2.gz ZDBBTTXSSBNLQE-UHFFFAOYSA-N -1 0 401.271 4.501 50 0 HJAARM CC1=C(C)C[C@@H](C(=O)Nc2sccc2C(=O)Nc2ccccc2F)[C@H](C(=O)[O-])C1 ZINC000017090607 558819113 /nfs/dbraw/zinc/81/91/13/558819113.db2.gz XNYRIWJDRNQUAC-HUUCEWRRSA-N -1 0 416.474 4.525 50 0 HJAARM CCc1c(C)sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1C(=O)NC1CCCCC1 ZINC000017092394 558820789 /nfs/dbraw/zinc/82/07/89/558820789.db2.gz DUDOEVGSSAZMIO-IRXDYDNUSA-N -1 0 420.575 4.511 50 0 HJAARM Cc1ccc(C(=O)Nc2ccc3nc(N4C[C@H](C)C[C@@H](C)C4)cc(C(=O)[O-])c3c2)cc1 ZINC000033010254 558829574 /nfs/dbraw/zinc/82/95/74/558829574.db2.gz KXCZGIHEBRUWDJ-IAGOWNOFSA-N -1 0 417.509 4.976 50 0 HJAARM Cc1ccc(C(=O)Nc2ccc3nc(N4C[C@@H](C)C[C@H](C)C4)cc(C(=O)[O-])c3c2)cc1 ZINC000033010256 558829624 /nfs/dbraw/zinc/82/96/24/558829624.db2.gz KXCZGIHEBRUWDJ-IRXDYDNUSA-N -1 0 417.509 4.976 50 0 HJAARM O=C([O-])c1cc(N2CCCCC2)nc2ccc(NC(=O)c3ccc(Cl)cc3)cc21 ZINC000033010321 558829647 /nfs/dbraw/zinc/82/96/47/558829647.db2.gz HWQPNNIVLNDXIU-UHFFFAOYSA-N -1 0 409.873 4.829 50 0 HJAARM Cc1ccccc1Cc1c(C)nc2[n-]c(SCc3ccc(Cl)cc3)nn2c1=O ZINC000018029818 558829796 /nfs/dbraw/zinc/82/97/96/558829796.db2.gz ZQZVPGWOTOPEGQ-UHFFFAOYSA-N -1 0 410.930 4.983 50 0 HJAARM O=C1[N-]N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 ZINC000000669323 558829944 /nfs/dbraw/zinc/82/99/44/558829944.db2.gz BUVZCBKWSFPUBA-GDNBJRDFSA-N -1 0 417.223 4.854 50 0 HJAARM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1cc(-c2ccno2)cs1 ZINC000033169506 558902758 /nfs/dbraw/zinc/90/27/58/558902758.db2.gz UEKWWDPDKBLETI-UHFFFAOYSA-N -1 0 408.810 4.876 50 0 HJAARM O=C([O-])CN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)C1=O ZINC000004690865 558904772 /nfs/dbraw/zinc/90/47/72/558904772.db2.gz PRKMIPZOFZEYSB-OQLLNIDSSA-N -1 0 405.884 4.612 50 0 HJAARM CCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2C)cc1C(=O)[O-] ZINC000033253326 558921262 /nfs/dbraw/zinc/92/12/62/558921262.db2.gz GMYUXQPLJJLVLO-UHFFFAOYSA-N -1 0 424.522 4.521 50 0 HJAARM Cc1sc(-c2nc(-c3cccc(F)c3)no2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000064450528 558963549 /nfs/dbraw/zinc/96/35/49/558963549.db2.gz QXTQOEHFPULHLN-UHFFFAOYSA-N -1 0 415.471 4.713 50 0 HJAARM Cc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000064450494 558963561 /nfs/dbraw/zinc/96/35/61/558963561.db2.gz QEIDFNIOTCJFJA-UHFFFAOYSA-N -1 0 411.508 4.883 50 0 HJAARM Cc1sc(C)c(S(=O)(=O)[N-]c2cccc(F)c2)c1-c1cc(C(F)(F)F)on1 ZINC000033299337 559049257 /nfs/dbraw/zinc/04/92/57/559049257.db2.gz SBBLKIDJHUXIMV-UHFFFAOYSA-N -1 0 420.409 4.979 50 0 HJAARM CC[C@H](C)[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240458 559056290 /nfs/dbraw/zinc/05/62/90/559056290.db2.gz HRIYWBAEXOUWJP-DLPLYFIVSA-N -1 0 411.523 4.810 50 0 HJAARM O=C([O-])c1ccc(-n2c(=O)c3ccccc3nc2/C=C/c2cccc(Cl)c2)cc1 ZINC000023260514 559073367 /nfs/dbraw/zinc/07/33/67/559073367.db2.gz BVVKVUQTQUGDFV-MDWZMJQESA-N -1 0 402.837 4.908 50 0 HJAARM CCCCn1c(=O)c(C(=O)Nc2ccccc2C(F)(F)F)c([O-])c2ccccc21 ZINC000100676073 559255303 /nfs/dbraw/zinc/25/53/03/559255303.db2.gz RYZZTCFZXSMROR-UHFFFAOYSA-N -1 0 404.388 4.778 50 0 HJAARM O=C1Nc2ccc(S(=O)(=O)[N-]c3ccccc3Oc3ccccc3)c3cccc1c23 ZINC000011851817 559262054 /nfs/dbraw/zinc/26/20/54/559262054.db2.gz NVMBCEQXRRDAMC-UHFFFAOYSA-N -1 0 416.458 4.999 50 0 HJAARM Cc1noc(C)c1[C@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccc(Cl)cc1 ZINC000061720432 560536668 /nfs/dbraw/zinc/53/66/68/560536668.db2.gz QWZHFELKUGAIAB-GFCCVEGCSA-N -1 0 402.859 4.846 50 0 HJAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(F)cc2)c1 ZINC000017208613 560703932 /nfs/dbraw/zinc/70/39/32/560703932.db2.gz VNFGYUMOTBEYQX-UHFFFAOYSA-N -1 0 422.485 4.930 50 0 HJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccccc2)cc1C ZINC000017251484 560705110 /nfs/dbraw/zinc/70/51/10/560705110.db2.gz BZPYCNRXJCVIMQ-UHFFFAOYSA-N -1 0 404.495 4.791 50 0 HJAARM CC(C)OP(=O)(OC(C)C)C(C[P@@H](=O)[O-])P(=O)(OC(C)C)OC(C)C ZINC000018196439 560782614 /nfs/dbraw/zinc/78/26/14/560782614.db2.gz HDENJGISIDMYEK-UHFFFAOYSA-N -1 0 422.332 4.866 50 0 HJAARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1CCC(=O)Nc1ccccc1F ZINC000101501391 560796591 /nfs/dbraw/zinc/79/65/91/560796591.db2.gz VUJVUUUYJDUDAA-UHFFFAOYSA-N -1 0 422.485 4.720 50 0 HJAARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1CC(=O)Nc1c(C)cccc1C ZINC000101831154 560802934 /nfs/dbraw/zinc/80/29/34/560802934.db2.gz PPVWXYPPBRPUNV-UHFFFAOYSA-N -1 0 418.522 4.808 50 0 HJAARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1CCC(=O)Nc1ccccc1 ZINC000101832912 560802992 /nfs/dbraw/zinc/80/29/92/560802992.db2.gz WAASAVJJKJYKQH-UHFFFAOYSA-N -1 0 418.522 4.890 50 0 HJAARM COC(=O)c1ccc([C@H]2Nc3nonc3N=C3C[C@@H](c4cccs4)CC(=O)C32)cc1 ZINC000102739480 560824853 /nfs/dbraw/zinc/82/48/53/560824853.db2.gz NACDCRJZUCNYNT-FZKQIMNGSA-N -1 0 422.466 4.547 50 0 HJAARM O=C([O-])c1cc(-c2ccc(I)cc2)nc2ccc(Cl)cc21 ZINC000015856613 560857751 /nfs/dbraw/zinc/85/77/51/560857751.db2.gz LNEXKEVIFDKVEO-UHFFFAOYSA-N -1 0 409.610 4.858 50 0 HJAARM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@H](c2cc(F)c(F)c(F)c2)S1 ZINC000096117218 568696739 /nfs/dbraw/zinc/69/67/39/568696739.db2.gz AKPHFWUMNXHGHS-ZBEGNZNMSA-N -1 0 411.449 4.610 50 0 HJAARM O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-]c1noc2ccc(C(F)(F)F)cc21 ZINC000239591355 568729686 /nfs/dbraw/zinc/72/96/86/568729686.db2.gz BBBYCXBTLUXQQW-UHFFFAOYSA-N -1 0 424.322 4.807 50 0 HJAARM CC/N=C1/S/C(=C/c2ccc(-c3cc(Cl)ccc3C(=O)[O-])o2)C(=O)N1CC ZINC000210978424 568749170 /nfs/dbraw/zinc/74/91/70/568749170.db2.gz ZQCMFBNZOIEYTH-OZZFTROTSA-N -1 0 404.875 4.610 50 0 HJAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccccc1)c1ccc(Cl)s1 ZINC000003328206 568854697 /nfs/dbraw/zinc/85/46/97/568854697.db2.gz VOGPLEUGWNXUKM-UHFFFAOYSA-N -1 0 416.915 4.889 50 0 HJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccccc2C)cc1 ZINC000003130914 568857466 /nfs/dbraw/zinc/85/74/66/568857466.db2.gz WAFULEVJKLPJPW-UHFFFAOYSA-N -1 0 404.495 4.791 50 0 HJAARM 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CSc1nc2c(sc3nc(CC(C)C)c4c(c32)CCC4)c(SCC(=O)[O-])n1 ZINC000002406613 569396220 /nfs/dbraw/zinc/39/62/20/569396220.db2.gz AXKCAKSKHGYFQK-UHFFFAOYSA-N -1 0 419.597 4.825 50 0 HJAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2csc(C)n2)ccc1C ZINC000013358090 569411508 /nfs/dbraw/zinc/41/15/08/569411508.db2.gz WKATXTZDALZDMA-UHFFFAOYSA-N -1 0 408.932 4.890 50 0 HJAARM CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1ccc(C)c(F)c1 ZINC000009645889 571276262 /nfs/dbraw/zinc/27/62/62/571276262.db2.gz KQNCXRDFJPUJHM-UHFFFAOYSA-N -1 0 419.499 4.840 50 0 HJAARM